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1 <html> | |
2 <head> | |
3 <title>MayaChemTools:Code:FileIO::FingerprintsSDFileIO.pm</title> | |
4 <meta http-equiv="content-type" content="text/html;charset=utf-8"> | |
5 <link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css"> | |
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8 <br/> | |
9 <center> | |
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13 <pre> | |
14 <a name="package-FileIO::FingerprintsSDFileIO-"></a> 1 <span class="k">package </span><span class="i">FileIO::FingerprintsSDFileIO</span><span class="sc">;</span> | |
15 2 <span class="c">#</span> | |
16 3 <span class="c"># $RCSfile: FingerprintsSDFileIO.pm,v $</span> | |
17 4 <span class="c"># $Date: 2015/02/28 20:48:43 $</span> | |
18 5 <span class="c"># $Revision: 1.18 $</span> | |
19 6 <span class="c">#</span> | |
20 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> | |
21 8 <span class="c">#</span> | |
22 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> | |
23 10 <span class="c">#</span> | |
24 11 <span class="c"># This file is part of MayaChemTools.</span> | |
25 12 <span class="c">#</span> | |
26 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> | |
27 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> | |
28 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> | |
29 16 <span class="c"># later version.</span> | |
30 17 <span class="c">#</span> | |
31 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> | |
32 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> | |
33 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span> | |
34 21 <span class="c"># details.</span> | |
35 22 <span class="c">#</span> | |
36 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> | |
37 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> | |
38 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> | |
39 26 <span class="c"># Boston, MA, 02111-1307, USA.</span> | |
40 27 <span class="c">#</span> | |
41 28 | |
42 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> | |
43 30 <span class="k">use</span> <span class="w">Carp</span><span class="sc">;</span> | |
44 31 <span class="k">use</span> <span class="w">Exporter</span><span class="sc">;</span> | |
45 32 <span class="k">use</span> <span class="w">Scalar::Util</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
46 33 <span class="k">use</span> <span class="w">TextUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
47 34 <span class="k">use</span> <span class="w">FileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
48 35 <span class="k">use</span> <span class="w">SDFileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
49 36 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsStringUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
50 37 <span class="k">use</span> <span class="w">FileIO::FileIO</span><span class="sc">;</span> | |
51 38 | |
52 39 <span class="k">use</span> <span class="w">vars</span> <span class="q">qw(@ISA @EXPORT @EXPORT_OK %EXPORT_TAGS)</span><span class="sc">;</span> | |
53 40 | |
54 41 <span class="i">@ISA</span> = <span class="q">qw(FileIO::FileIO Exporter)</span><span class="sc">;</span> | |
55 42 <span class="i">@EXPORT</span> = <span class="q">qw()</span><span class="sc">;</span> | |
56 43 <span class="i">@EXPORT_OK</span> = <span class="q">qw(IsFingerprintsSDFile)</span><span class="sc">;</span> | |
57 44 | |
58 45 <span class="i">%EXPORT_TAGS</span> = <span class="s">(</span><span class="w">all</span> <span class="cm">=></span> <span class="s">[</span><span class="i">@EXPORT</span><span class="cm">,</span> <span class="i">@EXPORT_OK</span><span class="s">]</span><span class="s">)</span><span class="sc">;</span> | |
59 46 | |
60 47 <span class="c"># Setup class variables...</span> | |
61 48 <span class="k">my</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="sc">;</span> | |
62 49 <span class="i">_InitializeClass</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
63 50 | |
64 51 <span class="c"># Class constructor...</span> | |
65 <a name="new-"></a> 52 <span class="k">sub </span><span class="m">new</span> <span class="s">{</span> | |
66 53 <span class="k">my</span><span class="s">(</span><span class="i">$Class</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
67 54 | |
68 55 <span class="c"># Initialize object...</span> | |
69 56 <span class="k">my</span> <span class="i">$This</span> = <span class="i">$Class</span><span class="i">->SUPER::new</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
70 57 <span class="k">bless</span> <span class="i">$This</span><span class="cm">,</span> <span class="k">ref</span><span class="s">(</span><span class="i">$Class</span><span class="s">)</span> || <span class="i">$Class</span><span class="sc">;</span> | |
71 58 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIO</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
72 59 | |
73 60 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> | |
74 61 | |
75 62 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
76 63 <span class="s">}</span> | |
77 64 | |
78 65 <span class="c"># Initialize object data...</span> | |
79 66 <span class="c">#</span> | |
80 <a name="_InitializeFingerprintsSDFileIO-"></a> 67 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIO</span> <span class="s">{</span> | |
81 68 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
82 69 | |
83 70 <span class="c"># Fingerprints string data format during read/write...</span> | |
84 71 <span class="c">#</span> | |
85 72 <span class="c"># For file read:</span> | |
86 73 <span class="c">#</span> | |
87 74 <span class="c"># AutoDetect - automatically detect format of fingerprints string</span> | |
88 75 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> | |
89 76 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> | |
90 77 <span class="c">#</span> | |
91 78 <span class="c"># Default value: AutoDetect</span> | |
92 79 <span class="c">#</span> | |
93 80 <span class="c"># For file write:</span> | |
94 81 <span class="c">#</span> | |
95 82 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> | |
96 83 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> | |
97 84 <span class="c">#</span> | |
98 85 <span class="c"># Default value: undef</span> | |
99 86 <span class="c">#</span> | |
100 87 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="k">undef</span><span class="sc">;</span> | |
101 88 | |
102 89 <span class="c"># For file read:</span> | |
103 90 <span class="c">#</span> | |
104 91 <span class="c"># o Fingerprints bit-vector and vector object for current fingerprints string</span> | |
105 92 <span class="c">#</span> | |
106 93 <span class="c"># For file write:</span> | |
107 94 <span class="c">#</span> | |
108 95 <span class="c"># o Fingerprints bit-vector and vector object for current fingerprints string</span> | |
109 96 <span class="c"># o Any supported fingerprints object: PathLengthFingerprints, ExtendedConnectivity, and so on.</span> | |
110 97 <span class="c">#</span> | |
111 98 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> | |
112 99 | |
113 100 <span class="c"># Fingerprints SD file data field label during read/write</span> | |
114 101 <span class="c">#</span> | |
115 102 <span class="c"># For file read:</span> | |
116 103 <span class="c">#</span> | |
117 104 <span class="c"># Value of AutoDetect implies use first data field containing the word Fingerprints in its</span> | |
118 105 <span class="c"># data field label to retrieve fingerprints string data. Othwewise, a valid data field name</span> | |
119 106 <span class="c"># must be specified.</span> | |
120 107 <span class="c">#</span> | |
121 108 <span class="c"># For file write:</span> | |
122 109 <span class="c">#</span> | |
123 110 <span class="c"># Data field label to use for writing fingerprints string. Default: Fingerprints</span> | |
124 111 <span class="c">#</span> | |
125 112 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span> | |
126 113 | |
127 114 <span class="c"># Fingepritns string for current line during read/write...</span> | |
128 115 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
129 116 | |
130 117 <span class="c"># First compound data string read/write...</span> | |
131 118 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">1</span><span class="sc">;</span> | |
132 119 | |
133 120 <span class="c"># Current fingerprints string data compound number during read/write...</span> | |
134 121 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} = <span class="n">0</span><span class="sc">;</span> | |
135 122 | |
136 123 <span class="c"># Compound data string during read/write...</span> | |
137 124 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
138 125 | |
139 126 <span class="c"># Initialize parameters for read...</span> | |
140 127 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIORead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
141 128 | |
142 129 <span class="c"># Initialize parameters for write...</span> | |
143 130 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
144 131 | |
145 132 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
146 133 <span class="s">}</span> | |
147 134 | |
148 135 <span class="c"># Initialize class ...</span> | |
149 <a name="_InitializeClass-"></a> 136 <span class="k">sub </span><span class="m">_InitializeClass</span> <span class="s">{</span> | |
150 137 <span class="c">#Class name...</span> | |
151 138 <span class="i">$ClassName</span> = <span class="w">__PACKAGE__</span><span class="sc">;</span> | |
152 139 | |
153 140 <span class="s">}</span> | |
154 141 | |
155 142 <span class="c"># Initialize object data for reading fingerprints SD file...</span> | |
156 143 <span class="c">#</span> | |
157 <a name="_InitializeFingerprintsSDFileIORead-"></a> 144 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIORead</span> <span class="s">{</span> | |
158 145 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
159 146 | |
160 147 <span class="c"># Compound ID mode to use for retrieving compound IDs for fingerprints...</span> | |
161 148 <span class="c">#</span> | |
162 149 <span class="c"># Specify how to generate compound IDs: use a SD file datafield value; use molname line from</span> | |
163 150 <span class="c"># SD file; generate a sequential ID with specific prefix; use combination of both MolName and</span> | |
164 151 <span class="c"># LabelPrefix with usage of LabelPrefix values for empty molname lines.</span> | |
165 152 <span class="c">#</span> | |
166 153 <span class="c"># Possible values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix. Default: LabelPrefix.</span> | |
167 154 <span class="c">#</span> | |
168 155 <span class="c"># For MolNameAndLabelPrefix value of CompoundIDMode, molname line in SD file takes precedence over</span> | |
169 156 <span class="c"># sequential compound IDs generated using LabelPrefix and only empty molname values are replaced</span> | |
170 157 <span class="c"># with sequential compound IDs.</span> | |
171 158 <span class="c">#</span> | |
172 159 <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="q">'LabelPrefix'</span><span class="sc">;</span> | |
173 160 | |
174 161 <span class="c">#</span> | |
175 162 <span class="c"># Compound ID data field label name whose value is used as compound ID during DatafField value of</span> | |
176 163 <span class="c"># CompoundIDMode</span> | |
177 164 <span class="c">#</span> | |
178 165 <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span> | |
179 166 | |
180 167 <span class="c"># A prefix string used for generating compound IDs like LabelPrefixString<Number> during LabelPrefix</span> | |
181 168 <span class="c"># or MolNameOrLabelPrefix value of CompoundIDMode. Default value, Cmpd, generates compound IDs</span> | |
182 169 <span class="c"># which look like Cmpd<Number>.</span> | |
183 170 <span class="c">#</span> | |
184 171 <span class="i">$This</span>->{<span class="w">CompoundIDPrefix</span>} = <span class="q">'Cmpd'</span><span class="sc">;</span> | |
185 172 | |
186 173 <span class="c"># By default, the fingerprints data corresponding to FingerprintsCol is assumed to</span> | |
187 174 <span class="c"># be valid and no validation is performed before generating fingerprints objects...</span> | |
188 175 <span class="c">#</span> | |
189 176 <span class="i">$This</span>->{<span class="w">ValidateData</span>} = <span class="n">1</span><span class="sc">;</span> | |
190 177 | |
191 178 <span class="c"># Level of detail to print during validation of data for invalid or missing data...</span> | |
192 179 <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="n">1</span><span class="sc">;</span> | |
193 180 | |
194 181 <span class="c"># Number of missing and invalid fingerprints string data compound strings...</span> | |
195 182 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} = <span class="n">0</span><span class="sc">;</span> | |
196 183 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} = <span class="n">0</span><span class="sc">;</span> | |
197 184 | |
198 185 <span class="c"># Compound ID for current fingerprints string...</span> | |
199 186 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span> | |
200 187 | |
201 188 <span class="c"># Compound data field labels and values map for current compound data...</span> | |
202 189 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
203 190 | |
204 191 <span class="c"># Status of data in fingerprints SD file...</span> | |
205 192 <span class="i">$This</span>->{<span class="w">ValidFileData</span>} = <span class="n">0</span><span class="sc">;</span> | |
206 193 | |
207 194 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span> | |
208 195 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span> | |
209 196 | |
210 197 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
211 198 | |
212 199 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
213 200 <span class="s">}</span> | |
214 201 | |
215 202 <span class="c"># Initialize object data for writing fingerprints SD file...</span> | |
216 203 <span class="c">#</span> | |
217 <a name="_InitializeFingerprintsSDFileIOWrite-"></a> 204 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWrite</span> <span class="s">{</span> | |
218 205 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
219 206 | |
220 207 <span class="c"># Fingerprints bit vector string format...</span> | |
221 208 <span class="c">#</span> | |
222 209 <span class="c"># Possible values: BinaryString or HexadecimalString [Default]</span> | |
223 210 <span class="c">#</span> | |
224 211 <span class="c"># Default BitStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitStringFormat.</span> | |
225 212 <span class="c">#</span> | |
226 213 <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span> | |
227 214 | |
228 215 <span class="c"># Bits order in fingerprints bit vector string...</span> | |
229 216 <span class="c">#</span> | |
230 217 <span class="c"># Ascending - First bit in each byte as the lowest bit [Default]</span> | |
231 218 <span class="c"># Descending - First bit in each byte as the highest bit</span> | |
232 219 <span class="c">#</span> | |
233 220 <span class="c"># Default BitsOrder is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitsOrder.</span> | |
234 221 <span class="c">#</span> | |
235 222 <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="k">undef</span><span class="sc">;</span> | |
236 223 | |
237 224 <span class="c"># Fingerprints vector string format...</span> | |
238 225 <span class="c">#</span> | |
239 226 <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span> | |
240 227 <span class="c">#</span> | |
241 228 <span class="c"># Default VectorStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultVectorStringFormat.</span> | |
242 229 <span class="c"># For fingerprints vector object containing vector NumericalValues, it corresponds to IDsAndValuesString; othwerwise,</span> | |
243 230 <span class="c"># it's set to ValuesString.</span> | |
244 231 <span class="c">#</span> | |
245 232 <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span> | |
246 233 | |
247 234 <span class="c"># Overwriting existing file...</span> | |
248 235 <span class="i">$This</span>->{<span class="w">Overwrite</span>} = <span class="n">0</span><span class="sc">;</span> | |
249 236 | |
250 237 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
251 238 <span class="s">}</span> | |
252 239 | |
253 240 <span class="c"># Initialize object values...</span> | |
254 <a name="_InitializeFingerprintsSDFileIOProperties-"></a> 241 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOProperties</span> <span class="s">{</span> | |
255 242 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
256 243 | |
257 244 <span class="c"># All other property names and values along with all Set/Get<PropertyName> methods</span> | |
258 245 <span class="c"># are implemented on-demand using ObjectProperty class.</span> | |
259 246 | |
260 247 <span class="k">my</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="cm">,</span> <span class="i">$MethodName</span><span class="s">)</span><span class="sc">;</span> | |
261 248 <span class="k">while</span> <span class="s">(</span><span class="s">(</span><span class="i">$Name</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="k">each</span> <span class="i">%NamesAndValues</span><span class="s">)</span> <span class="s">{</span> | |
262 249 <span class="i">$MethodName</span> = <span class="q">"Set${Name}"</span><span class="sc">;</span> | |
263 250 <span class="i">$This</span><span class="i">->$MethodName</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> | |
264 251 <span class="s">}</span> | |
265 252 | |
266 253 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="s">)</span> <span class="s">{</span> | |
267 254 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying file name..."</span><span class="sc">;</span> | |
268 255 <span class="s">}</span> | |
269 256 | |
270 257 <span class="c"># Make sure it's a fingerprints file...</span> | |
271 258 <span class="i">$Name</span> = <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="sc">;</span> | |
272 259 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->IsFingerprintsSDFile</span><span class="s">(</span><span class="i">$Name</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
273 260 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $Name, doesn't appear to be fingerprints format..."</span><span class="sc">;</span> | |
274 261 <span class="s">}</span> | |
275 262 | |
276 263 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->GetMode</span><span class="s">(</span><span class="s">)</span> =~ <span class="q">/^Read$/i</span><span class="s">)</span> <span class="s">{</span> | |
277 264 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOReadProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> | |
278 265 <span class="s">}</span> | |
279 266 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span><span class="i">->GetMode</span><span class="s">(</span><span class="s">)</span> =~ <span class="q">/^(Write|Append)$/i</span><span class="s">)</span> <span class="s">{</span> | |
280 267 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWriteProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> | |
281 268 <span class="s">}</span> | |
282 269 | |
283 270 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
284 271 <span class="s">}</span> | |
285 272 | |
286 273 <span class="c"># Initialize object properties for reading fingerprints SD file...</span> | |
287 274 <span class="c">#</span> | |
288 <a name="_InitializeFingerprintsSDFileIOReadProperties-"></a> 275 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOReadProperties</span> <span class="s">{</span> | |
289 276 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
290 277 | |
291 278 <span class="c"># Set default value for FingerprintsStringMode...</span> | |
292 279 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
293 280 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span> | |
294 281 <span class="s">}</span> | |
295 282 | |
296 283 <span class="c"># Set default value for FingerprintsFieldLabel...</span> | |
297 284 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | |
298 285 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span> | |
299 286 <span class="s">}</span> | |
300 287 | |
301 288 <span class="c"># Check compound ID data field...</span> | |
302 289 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> && <span class="s">(</span>!<span class="k">defined</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
303 290 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: Compound ID data field lable must be specifed using \"CompoundIDFieldLabel\" during \"DataField\" value of \"CompoundIDMode\"..."</span><span class="sc">;</span> | |
304 291 <span class="s">}</span> | |
305 292 | |
306 293 <span class="i">$This</span><span class="i">->_PrepareForReadingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
307 294 | |
308 295 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
309 296 <span class="s">}</span> | |
310 297 | |
311 298 <span class="c"># Initialize object properties for writing fingerprints SD file...</span> | |
312 299 <span class="c">#</span> | |
313 <a name="_InitializeFingerprintsSDFileIOWriteProperties-"></a> 300 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWriteProperties</span> <span class="s">{</span> | |
314 301 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
315 302 | |
316 303 <span class="c"># Check FingerprintsStringMode value...</span> | |
317 304 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">FingerprintsStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
318 305 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying FingerprintsStringMode..."</span><span class="sc">;</span> | |
319 306 <span class="s">}</span> | |
320 307 | |
321 308 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} !~ <span class="q">/^(FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span> | |
322 309 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: FingerprintsStringMode value, $This->{FingerprintsStringMode}, is not valid; Supported values for write/append: FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span> | |
323 310 <span class="s">}</span> | |
324 311 | |
325 312 <span class="c"># Set default value for FingerprintsFieldLabel...</span> | |
326 313 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | |
327 314 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'Fingerprints'</span><span class="sc">;</span> | |
328 315 <span class="s">}</span> | |
329 316 | |
330 317 <span class="i">$This</span><span class="i">->_PrepareForWritingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
331 318 | |
332 319 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
333 320 <span class="s">}</span> | |
334 321 | |
335 322 <span class="c"># Set FingerprintsStringMode...</span> | |
336 323 <span class="c">#</span> | |
337 <a name="SetFingerprintsStringMode-"></a> 324 <span class="k">sub </span><span class="m">SetFingerprintsStringMode</span> <span class="s">{</span> | |
338 325 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
339 326 | |
340 327 <span class="c"># AutoDetect - automatically detect format of fingerprints string</span> | |
341 328 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> | |
342 329 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> | |
343 330 | |
344 331 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(AutoDetect|FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span> | |
345 332 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: FingerprintsStringMode value, $Value, is not valid; Supported values: AutoDetect, FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span> | |
346 333 <span class="s">}</span> | |
347 334 | |
348 335 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
349 336 | |
350 337 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
351 338 <span class="s">}</span> | |
352 339 | |
353 340 <span class="c"># Set CompoundIDMode...</span> | |
354 341 <span class="c">#</span> | |
355 <a name="SetCompoundIDMode-"></a> 342 <span class="k">sub </span><span class="m">SetCompoundIDMode</span> <span class="s">{</span> | |
356 343 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
357 344 | |
358 345 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(DataField|MolName|LabelPrefix|MolNameOrLabelPrefix)$/i</span><span class="s">)</span> <span class="s">{</span> | |
359 346 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: CompoundIDMode value, $Value, is not valid; Supported values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix..."</span><span class="sc">;</span> | |
360 347 <span class="s">}</span> | |
361 348 | |
362 349 <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
363 350 | |
364 351 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
365 352 <span class="s">}</span> | |
366 353 | |
367 354 <span class="c"># Set DetailLevel...</span> | |
368 355 <span class="c">#</span> | |
369 <a name="SetDetailLevel-"></a> 356 <span class="k">sub </span><span class="m">SetDetailLevel</span> <span class="s">{</span> | |
370 357 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
371 358 | |
372 359 <span class="k">if</span> <span class="s">(</span>!<span class="i">TextUtil::IsPositiveInteger</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
373 360 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetDetailLevel: DetailLevel value, $Value, is not valid; Supported values: > 0..."</span><span class="sc">;</span> | |
374 361 <span class="s">}</span> | |
375 362 | |
376 363 <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
377 364 | |
378 365 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
379 366 <span class="s">}</span> | |
380 367 | |
381 368 <span class="c"># Set BitStringFormat...</span> | |
382 369 <span class="c">#</span> | |
383 <a name="SetBitStringFormat-"></a> 370 <span class="k">sub </span><span class="m">SetBitStringFormat</span> <span class="s">{</span> | |
384 371 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
385 372 | |
386 373 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(BinaryString|HexadecimalString)$/i</span><span class="s">)</span> <span class="s">{</span> | |
387 374 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitStringFormat: BitStringFormat value, $Value, is not valid; Supported values: BinaryString or HexadecimalString..."</span><span class="sc">;</span> | |
388 375 <span class="s">}</span> | |
389 376 | |
390 377 <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
391 378 | |
392 379 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
393 380 <span class="s">}</span> | |
394 381 | |
395 382 <span class="c"># Set BitsOrder...</span> | |
396 383 <span class="c">#</span> | |
397 <a name="SetBitsOrder-"></a> 384 <span class="k">sub </span><span class="m">SetBitsOrder</span> <span class="s">{</span> | |
398 385 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
399 386 | |
400 387 <span class="c"># Ascending - First bit in each byte as the lowest bit</span> | |
401 388 <span class="c"># Descending - First bit in each byte as the highest bit</span> | |
402 389 <span class="c">#</span> | |
403 390 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(Ascending|Descending)$/i</span><span class="s">)</span> <span class="s">{</span> | |
404 391 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitsOrder: FingerprintsStringMode value, $Value, is not valid; Supported values: Ascending or Descending..."</span><span class="sc">;</span> | |
405 392 <span class="s">}</span> | |
406 393 | |
407 394 <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
408 395 | |
409 396 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
410 397 <span class="s">}</span> | |
411 398 | |
412 399 <span class="c"># Set VectorStringFormat...</span> | |
413 400 <span class="c">#</span> | |
414 <a name="SetVectorStringFormat-"></a> 401 <span class="k">sub </span><span class="m">SetVectorStringFormat</span> <span class="s">{</span> | |
415 402 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
416 403 | |
417 404 <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span> | |
418 405 | |
419 406 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(IDsAndValuesString|IDsAndValuesPairsString|ValuesAndIDsString|ValuesAndIDsPairsString|ValuesString)$/i</span><span class="s">)</span> <span class="s">{</span> | |
420 407 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetVectorStringFormat: FingerprintsStringMode value, $Value, is not valid; Supported values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, or ValuesString..."</span><span class="sc">;</span> | |
421 408 <span class="s">}</span> | |
422 409 | |
423 410 <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span> | |
424 411 | |
425 412 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
426 413 <span class="s">}</span> | |
427 414 | |
428 415 <span class="c"># Get compound string for current compound with optional removal of fingerprints data..</span> | |
429 416 <span class="c">#</span> | |
430 <a name="GetCompoundString-"></a> 417 <span class="k">sub </span><span class="m">GetCompoundString</span> <span class="s">{</span> | |
431 418 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$RemoveFingerprintsData</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
432 419 | |
433 420 <span class="i">$RemoveFingerprintsData</span> = <span class="k">defined</span> <span class="i">$RemoveFingerprintsData</span> ? <span class="i">$RemoveFingerprintsData</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
434 421 | |
435 422 <span class="k">if</span> <span class="s">(</span><span class="i">$RemoveFingerprintsData</span> && <span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
436 423 <span class="k">return</span> <span class="i">SDFileUtil::RemoveCmpdDataHeaderLabelAndValue</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> | |
437 424 <span class="s">}</span> | |
438 425 | |
439 426 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> | |
440 427 <span class="s">}</span> | |
441 428 | |
442 429 <span class="c"># Set compound string for current compound..</span> | |
443 430 <span class="c">#</span> | |
444 <a name="SetCompoundString-"></a> 431 <span class="k">sub </span><span class="m">SetCompoundString</span> <span class="s">{</span> | |
445 432 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
446 433 | |
447 434 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> | |
448 435 | |
449 436 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
450 437 <span class="s">}</span> | |
451 438 | |
452 439 <span class="c"># Get fingerprints object for current compound using fingerprints, fingerprints bit-vector</span> | |
453 440 <span class="c"># fingerprints vector object. Fingerprints object correspond to any of supported fingerprints</span> | |
454 441 <span class="c"># objects such as PathLengthFingerprints, ExtendedConnectivity, and so on.</span> | |
455 442 <span class="c">#</span> | |
456 <a name="GetFingerprints-"></a> 443 <span class="k">sub </span><span class="m">GetFingerprints</span> <span class="s">{</span> | |
457 444 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
458 445 | |
459 446 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="sc">;</span> | |
460 447 <span class="s">}</span> | |
461 448 | |
462 449 <span class="c"># Set fingerprints object for current compound...</span> | |
463 450 <span class="c">#</span> | |
464 <a name="SetFingerprints-"></a> 451 <span class="k">sub </span><span class="m">SetFingerprints</span> <span class="s">{</span> | |
465 452 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsObject</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
466 453 | |
467 454 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span> | |
468 455 | |
469 456 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
470 457 <span class="s">}</span> | |
471 458 | |
472 459 <span class="c"># Get fingerprints string for current compound...</span> | |
473 460 <span class="c">#</span> | |
474 <a name="GetFingerprintsString-"></a> 461 <span class="k">sub </span><span class="m">GetFingerprintsString</span> <span class="s">{</span> | |
475 462 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
476 463 | |
477 464 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} ? <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> | |
478 465 <span class="s">}</span> | |
479 466 | |
480 467 <span class="c"># Set fingerprints string for current compound...</span> | |
481 468 <span class="c">#</span> | |
482 <a name="SetFingerprintsString-"></a> 469 <span class="k">sub </span><span class="m">SetFingerprintsString</span> <span class="s">{</span> | |
483 470 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
484 471 | |
485 472 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span> | |
486 473 | |
487 474 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
488 475 <span class="s">}</span> | |
489 476 | |
490 477 <span class="c"># Does fingerprints SD file contain valid data?</span> | |
491 478 <span class="c">#</span> | |
492 <a name="IsFingerprintsFileDataValid-"></a> 479 <span class="k">sub </span><span class="m">IsFingerprintsFileDataValid</span> <span class="s">{</span> | |
493 480 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
494 481 | |
495 482 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">ValidFileData</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
496 483 <span class="s">}</span> | |
497 484 | |
498 485 <span class="c"># Does current compound contains valid fingerprints object data?</span> | |
499 486 <span class="c">#</span> | |
500 <a name="IsFingerprintsDataValid-"></a> 487 <span class="k">sub </span><span class="m">IsFingerprintsDataValid</span> <span class="s">{</span> | |
501 488 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
502 489 | |
503 490 <span class="k">return</span> <span class="k">defined</span> <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
504 491 <span class="s">}</span> | |
505 492 | |
506 493 <span class="c"># Read next available compound data string, process it and generate appropriate fingerprints</span> | |
507 494 <span class="c"># objects...</span> | |
508 495 <span class="c">#</span> | |
509 <a name="Read-"></a> 496 <span class="k">sub </span><span class="m">Read</span> <span class="s">{</span> | |
510 497 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
511 498 | |
512 499 <span class="c"># Read compound data string...</span> | |
513 500 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
514 501 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
515 502 <span class="s">}</span> | |
516 503 | |
517 504 <span class="c"># No need to process invalid SD file with invalid data...</span> | |
518 505 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">ValidFileData</span>}<span class="s">)</span> <span class="s">{</span> | |
519 506 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span> | |
520 507 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span> | |
521 508 <span class="s">}</span> | |
522 509 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
523 510 <span class="s">}</span> | |
524 511 | |
525 512 <span class="c"># Perform data validation...</span> | |
526 513 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span> | |
527 514 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ValidateReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
528 515 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
529 516 <span class="s">}</span> | |
530 517 <span class="s">}</span> | |
531 518 | |
532 519 <span class="c"># Setup fingerprints string after checking again to handle problematic data for</span> | |
533 520 <span class="c"># non-validated compound string data...</span> | |
534 521 <span class="c">#</span> | |
535 522 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> | |
536 523 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
537 524 <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | |
538 525 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
539 526 <span class="s">}</span> | |
540 527 | |
541 528 <span class="c"># Generate fingeprints object...</span> | |
542 529 <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
543 530 | |
544 531 <span class="c"># Setup fingerprints compound ID for fingerprints string...</span> | |
545 532 <span class="i">$This</span><span class="i">->_GenerateCompoundID</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
546 533 | |
547 534 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
548 535 <span class="s">}</span> | |
549 536 | |
550 537 <span class="c"># Read next available compound data string, process it and generate appropriate fingerprints</span> | |
551 538 <span class="c"># objects...</span> | |
552 539 <span class="c">#</span> | |
553 <a name="Next-"></a> 540 <span class="k">sub </span><span class="m">Next</span> <span class="s">{</span> | |
554 541 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
555 542 | |
556 543 <span class="k">return</span> <span class="i">$This</span><span class="i">->Read</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
557 544 <span class="s">}</span> | |
558 545 | |
559 546 <span class="c"># Read compound data string...</span> | |
560 547 <span class="c">#</span> | |
561 <a name="_ReadCompoundDataString-"></a> 548 <span class="k">sub </span><span class="m">_ReadCompoundDataString</span> <span class="s">{</span> | |
562 549 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
563 550 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | |
564 551 | |
565 552 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span> | |
566 553 <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringRead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
567 554 <span class="s">}</span> | |
568 555 | |
569 556 <span class="c"># Initialize data for current compound data string...</span> | |
570 557 <span class="i">$This</span><span class="i">->_InitializeReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
571 558 | |
572 559 <span class="c"># Get next compound data line...</span> | |
573 560 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">SDFileUtil::ReadCmpdString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FileHandle</span>}<span class="s">)</span><span class="sc">;</span> | |
574 561 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> <span class="s">{</span> | |
575 562 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
576 563 <span class="s">}</span> | |
577 564 | |
578 565 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span> | |
579 566 | |
580 567 <span class="c"># Set up data field labels and values...</span> | |
581 568 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> | |
582 569 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="i">SDFileUtil::GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | |
583 570 | |
584 571 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> | |
585 572 <span class="s">}</span> | |
586 573 | |
587 574 <span class="c"># Initialize compound data string for reading...</span> | |
588 575 <span class="c">#</span> | |
589 <a name="_InitializeReadCompoundDataString-"></a> 576 <span class="k">sub </span><span class="m">_InitializeReadCompoundDataString</span> <span class="s">{</span> | |
590 577 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
591 578 | |
592 579 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span> | |
593 580 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
594 581 | |
595 582 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
596 583 | |
597 584 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> | |
598 585 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
599 586 | |
600 587 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
601 588 <span class="s">}</span> | |
602 589 | |
603 590 <span class="c"># Validate compound data string containing fingerprints data...</span> | |
604 591 <span class="c">#</span> | |
605 <a name="_ValidateReadCompoundDataString-"></a> 592 <span class="k">sub </span><span class="m">_ValidateReadCompoundDataString</span> <span class="s">{</span> | |
606 593 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
607 594 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> | |
608 595 | |
609 596 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
610 597 | |
611 598 <span class="c"># Check for missing data...</span> | |
612 599 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | |
613 600 <span class="c"># Missing data...</span> | |
614 601 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span> | |
615 602 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
616 603 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data: $This->{CompoundString}..."</span><span class="sc">;</span> | |
617 604 <span class="s">}</span> | |
618 605 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
619 606 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data..."</span><span class="sc">;</span> | |
620 607 <span class="s">}</span> | |
621 608 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
622 609 <span class="s">}</span> | |
623 610 | |
624 611 <span class="c"># Check for invalid data...</span> | |
625 612 <span class="k">my</span><span class="s">(</span><span class="i">$InvalidFingerprintsData</span><span class="cm">,</span> <span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="sc">;</span> | |
626 613 | |
627 614 <span class="i">$InvalidFingerprintsData</span> = <span class="n">0</span><span class="sc">;</span> | |
628 615 | |
629 616 <span class="k">if</span> <span class="s">(</span><span class="i">Fingerprints::FingerprintsStringUtil::AreFingerprintsStringValuesValid</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
630 617 <span class="s">(</span><span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span> = <span class="i">Fingerprints::FingerprintsStringUtil::GetFingerprintsStringTypeAndDescription</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> | |
631 618 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsType</span><span class="s">)</span> && <span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
632 619 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} !~ <span class="q">/^$FingerprintsType$/i</span> || <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} !~ <span class="q">/^$FingerprintsDescription$/i</span><span class="s">)</span> <span class="s">{</span> | |
633 620 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> | |
634 621 <span class="s">}</span> | |
635 622 <span class="s">}</span> | |
636 623 <span class="k">else</span> <span class="s">{</span> | |
637 624 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> | |
638 625 <span class="s">}</span> | |
639 626 <span class="s">}</span> | |
640 627 <span class="k">else</span> <span class="s">{</span> | |
641 628 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> | |
642 629 <span class="s">}</span> | |
643 630 | |
644 631 <span class="k">if</span> <span class="s">(</span><span class="i">$InvalidFingerprintsData</span><span class="s">)</span> <span class="s">{</span> | |
645 632 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} += <span class="n">1</span><span class="sc">;</span> | |
646 633 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">3</span><span class="s">)</span> <span class="s">{</span> | |
647 634 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data: $This->{DataLine}..."</span><span class="sc">;</span> | |
648 635 <span class="s">}</span> | |
649 636 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span> | |
650 637 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data..."</span><span class="sc">;</span> | |
651 638 <span class="s">}</span> | |
652 639 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
653 640 <span class="s">}</span> | |
654 641 | |
655 642 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> | |
656 643 <span class="s">}</span> | |
657 644 | |
658 645 <span class="c"># Setup fingerprints compound ID for fingerprints string...</span> | |
659 <a name="_GenerateCompoundID-"></a> 646 <span class="k">sub </span><span class="m">_GenerateCompoundID</span> <span class="s">{</span> | |
660 647 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
661 648 <span class="k">my</span><span class="s">(</span><span class="i">$CompoundID</span><span class="cm">,</span> <span class="i">$MolName</span><span class="s">)</span><span class="sc">;</span> | |
662 649 | |
663 650 <span class="i">$CompoundID</span> = <span class="q">''</span><span class="sc">;</span> | |
664 651 | |
665 652 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^LabelPrefix$/i</span><span class="s">)</span> <span class="s">{</span> | |
666 653 <span class="i">$CompoundID</span> = <span class="q">"$This->{CompoundIDPrefix}$This->{CompoundNum}"</span><span class="sc">;</span> | |
667 654 <span class="s">}</span> | |
668 655 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span> | |
669 656 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span> | |
670 657 <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span> | |
671 658 <span class="i">$CompoundID</span> = <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>} ? <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>} <span class="co">:</span> <span class="q">''</span><span class="sc">;</span> | |
672 659 <span class="s">}</span> | |
673 660 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^MolNameOrLabelPrefix$/i</span><span class="s">)</span> <span class="s">{</span> | |
674 661 <span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> | |
675 662 <span class="i">$CompoundID</span> = <span class="i">TextUtil::IsNotEmpty</span><span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> ? <span class="i">$MolName</span> <span class="co">:</span> <span class="q">"$This->{CompoundIDPrefix}$This->{CompoundNum}"</span><span class="sc">;</span> | |
676 663 <span class="s">}</span> | |
677 664 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^MolName$/i</span><span class="s">)</span> <span class="s">{</span> | |
678 665 <span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> | |
679 666 <span class="i">$CompoundID</span> = <span class="i">$MolName</span><span class="sc">;</span> | |
680 667 <span class="s">}</span> | |
681 668 | |
682 669 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="i">$CompoundID</span><span class="sc">;</span> | |
683 670 | |
684 671 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
685 672 <span class="s">}</span> | |
686 673 | |
687 674 <span class="c"># Process first compound data string read...</span> | |
688 675 <span class="c">#</span> | |
689 <a name="_ProcessFirstCompoundDataStringRead-"></a> 676 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringRead</span> <span class="s">{</span> | |
690 677 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
691 678 <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span> | |
692 679 | |
693 680 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span> | |
694 681 | |
695 682 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
696 683 <span class="s">}</span> | |
697 684 | |
698 685 <span class="c"># Get ready for reading fingerprints SD file...</span> | |
699 686 <span class="c">#</span> | |
700 <a name="_PrepareForReadingFingerprintsSDFileData-"></a> 687 <span class="k">sub </span><span class="m">_PrepareForReadingFingerprintsSDFileData</span> <span class="s">{</span> | |
701 688 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
702 689 | |
703 690 <span class="c"># Retrieve SD file data fields information....</span> | |
704 691 <span class="i">$This</span><span class="i">->_RetrieveSDFileDataFields</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
705 692 | |
706 693 <span class="c"># Validate compound and fingerprints field information...</span> | |
707 694 <span class="i">$This</span><span class="i">->_ValidateReadCompoundIDField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
708 695 <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
709 696 | |
710 697 <span class="c"># Validate fingeprints string mode information...</span> | |
711 698 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>}<span class="s">)</span> <span class="s">{</span> | |
712 699 <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
713 700 <span class="s">}</span> | |
714 701 | |
715 702 <span class="c"># Set status of SD file data...</span> | |
716 703 <span class="i">$This</span>->{<span class="w">ValidFileData</span>} = <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} && <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} && <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
717 704 | |
718 705 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
719 706 <span class="s">}</span> | |
720 707 | |
721 708 <span class="c"># Retrieve information data fields and fingerprints string...</span> | |
722 709 <span class="c">#</span> | |
723 <a name="_RetrieveSDFileDataFields-"></a> 710 <span class="k">sub </span><span class="m">_RetrieveSDFileDataFields</span> <span class="s">{</span> | |
724 711 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
725 712 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | |
726 713 | |
727 714 <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span> | |
728 715 | |
729 716 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
730 717 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, doesn't exist..."</span><span class="sc">;</span> | |
731 718 <span class="s">}</span> | |
732 719 | |
733 720 <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span> | |
734 721 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: Couldn't open input SD file $SDFile: $! ..."</span><span class="sc">;</span> | |
735 722 <span class="s">}</span> | |
736 723 <span class="i">$CmpdString</span> = <span class="i">SDFileUtil::ReadCmpdString</span><span class="s">(</span>\<span class="i">*SDFILE</span><span class="s">)</span><span class="sc">;</span> | |
737 724 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> | |
738 725 | |
739 726 <span class="c"># Set up data field labels and values for first compound string data...</span> | |
740 727 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> | |
741 728 | |
742 729 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
743 730 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="i">SDFileUtil::GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> | |
744 731 | |
745 732 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
746 733 <span class="s">}</span> | |
747 734 | |
748 735 <span class="c"># Validate compound ID field information...</span> | |
749 736 <span class="c">#</span> | |
750 <a name="_ValidateReadCompoundIDField-"></a> 737 <span class="k">sub </span><span class="m">_ValidateReadCompoundIDField</span> <span class="s">{</span> | |
751 738 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
752 739 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span> | |
753 740 | |
754 741 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span> | |
755 742 | |
756 743 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span> | |
757 744 <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span> | |
758 745 <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>}<span class="s">)</span> <span class="s">{</span> | |
759 746 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundIDField: Compound ID data field, $SpecifiedDataField, specified using \"CompoundIDField\" in \"DataField\" \"CompoundIDMode\" doesn't exist..."</span><span class="sc">;</span> | |
760 747 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
761 748 <span class="s">}</span> | |
762 749 <span class="s">}</span> | |
763 750 | |
764 751 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">1</span><span class="sc">;</span> | |
765 752 | |
766 753 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> | |
767 754 <span class="s">}</span> | |
768 755 | |
769 756 <span class="c"># Validate fingerprints string field information...</span> | |
770 757 <span class="c">#</span> | |
771 <a name="_ValidateReadFingerprintsField-"></a> 758 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsField</span> <span class="s">{</span> | |
772 759 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
773 760 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> | |
774 761 | |
775 762 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span> | |
776 763 | |
777 764 <span class="i">$FingerprintsFieldLabel</span> = <span class="q">''</span><span class="sc">;</span> | |
778 765 | |
779 766 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} !~ <span class="q">/^AutoDetect$/i</span><span class="s">)</span> <span class="s">{</span> | |
780 767 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
781 768 <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> | |
782 769 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Fingerprints data field value, $FingerprintsFieldLabel, specified using \"FingerprintsFieldLabel\" doesn't exist..."</span><span class="sc">;</span> | |
783 770 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
784 771 <span class="s">}</span> | |
785 772 <span class="s">}</span> | |
786 773 <span class="k">else</span> <span class="s">{</span> | |
787 774 <span class="c"># Make sure default fingerprints field does exist...</span> | |
788 775 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldFound</span><span class="cm">,</span> <span class="i">$DataFieldLabel</span><span class="s">)</span><span class="sc">;</span> | |
789 776 <span class="i">$FingerprintsFieldFound</span> = <span class="n">0</span><span class="sc">;</span> | |
790 777 | |
791 778 <span class="j">DATAFIELDLABEL:</span> <span class="k">for</span> <span class="i">$DataFieldLabel</span> <span class="s">(</span><span class="k">keys</span> <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}}<span class="s">)</span> <span class="s">{</span> | |
792 779 <span class="k">if</span> <span class="s">(</span><span class="i">$DataFieldLabel</span> =~ <span class="q">/Fingerprints/i</span><span class="s">)</span> <span class="s">{</span> | |
793 780 <span class="i">$FingerprintsFieldFound</span> = <span class="n">1</span><span class="sc">;</span> | |
794 781 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$DataFieldLabel</span><span class="sc">;</span> | |
795 782 <span class="k">last</span> <span class="j">DATAFIELDLABEL</span><span class="sc">;</span> | |
796 783 <span class="s">}</span> | |
797 784 <span class="s">}</span> | |
798 785 <span class="k">if</span> <span class="s">(</span>!<span class="i">$FingerprintsFieldFound</span><span class="s">)</span> <span class="s">{</span> | |
799 786 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Data field label containing \"Fingerprints\" string in its name doesn't exist..."</span><span class="sc">;</span> | |
800 787 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
801 788 <span class="s">}</span> | |
802 789 <span class="s">}</span> | |
803 790 | |
804 791 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">1</span><span class="sc">;</span> | |
805 792 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="i">$FingerprintsFieldLabel</span><span class="sc">;</span> | |
806 793 | |
807 794 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> | |
808 795 <span class="s">}</span> | |
809 796 | |
810 797 <span class="c"># Validate fingerprints string mode information...</span> | |
811 798 <span class="c">#</span> | |
812 <a name="_ValidateReadFingerprintsStringMode-"></a> 799 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsStringMode</span> <span class="s">{</span> | |
813 800 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
814 801 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsBitVectorStringMode</span><span class="cm">,</span> <span class="i">$FingerprintsVectorStringMode</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringType</span><span class="cm">,</span> <span class="i">$FirstFingerprintsStringDescription</span><span class="cm">,</span> <span class="i">$FingerprintsFieldLabel</span><span class="cm">,</span> <span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="sc">;</span> | |
815 802 | |
816 803 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
817 804 | |
818 805 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
819 806 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
820 807 | |
821 808 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="q">''</span><span class="sc">;</span> | |
822 809 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="q">''</span><span class="sc">;</span> | |
823 810 | |
824 811 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span> | |
825 812 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span> | |
826 813 | |
827 814 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">''</span><span class="sc">;</span> | |
828 815 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="q">''</span><span class="sc">;</span> | |
829 816 | |
830 817 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
831 818 | |
832 819 <span class="s">(</span><span class="i">$FingerprintsType</span><span class="cm">,</span> <span class="i">$FingerprintsDescription</span><span class="s">)</span> = <span class="i">Fingerprints::FingerprintsStringUtil::GetFingerprintsStringTypeAndDescription</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> | |
833 820 | |
834 821 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsBitVectorString$/i</span><span class="s">)</span> <span class="s">{</span> | |
835 822 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span> | |
836 823 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsBitVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span> | |
837 824 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
838 825 <span class="s">}</span> | |
839 826 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> | |
840 827 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsBitVector'</span><span class="sc">;</span> | |
841 828 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> | |
842 829 <span class="s">}</span> | |
843 830 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span> | |
844 831 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsVector$/i</span><span class="s">)</span> <span class="s">{</span> | |
845 832 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span> | |
846 833 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
847 834 <span class="s">}</span> | |
848 835 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> | |
849 836 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsVector'</span><span class="sc">;</span> | |
850 837 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> | |
851 838 <span class="s">}</span> | |
852 839 <span class="k">else</span> <span class="s">{</span> | |
853 840 <span class="c"># AutoDetect mode...</span> | |
854 841 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> =~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span> | |
855 842 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> | |
856 843 <span class="s">}</span> | |
857 844 <span class="k">elsif</span> <span class="s">(</span><span class="i">$FingerprintsType</span> =~ <span class="q">/^FingerprintsVector$/i</span><span class="s">)</span> <span class="s">{</span> | |
858 845 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> | |
859 846 <span class="s">}</span> | |
860 847 <span class="k">else</span> <span class="s">{</span> | |
861 848 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, identified during, AutoDetect, value of \"FingerprintsStringMode\" is not valid; Supported fingerprints types: FingerprintBitVector or FingerprintsVector..."</span><span class="sc">;</span> | |
862 849 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
863 850 <span class="s">}</span> | |
864 851 <span class="i">$FirstFingerprintsStringType</span> = <span class="i">$FingerprintsType</span><span class="sc">;</span> | |
865 852 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> | |
866 853 <span class="s">}</span> | |
867 854 | |
868 855 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">1</span><span class="sc">;</span> | |
869 856 | |
870 857 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="i">$FingerprintsBitVectorStringMode</span><span class="sc">;</span> | |
871 858 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="i">$FingerprintsVectorStringMode</span><span class="sc">;</span> | |
872 859 | |
873 860 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="i">$FirstFingerprintsStringType</span><span class="sc">;</span> | |
874 861 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="i">$FirstFingerprintsStringDescription</span><span class="sc">;</span> | |
875 862 | |
876 863 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> | |
877 864 <span class="s">}</span> | |
878 865 | |
879 866 <span class="c"># Write fingerprints string generated from specified fingerprints, fingerprints-bit vector, or</span> | |
880 867 <span class="c"># fingerprints vector object and other data to SD file...</span> | |
881 868 <span class="c">#</span> | |
882 <a name="WriteFingerprints-"></a> 869 <span class="k">sub </span><span class="m">WriteFingerprints</span> <span class="s">{</span> | |
883 870 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsObject</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
884 871 | |
885 872 <span class="c"># Initialize data for current compound...</span> | |
886 873 <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
887 874 | |
888 875 <span class="c"># Set fingerprints object...</span> | |
889 876 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span> | |
890 877 | |
891 878 <span class="c"># Generate fingerprints string...</span> | |
892 879 <span class="i">$This</span><span class="i">->_GenerateFingerprintsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
893 880 | |
894 881 <span class="c"># Set and update compound string...</span> | |
895 882 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> | |
896 883 <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
897 884 | |
898 885 <span class="c"># Write it out...</span> | |
899 886 <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
900 887 | |
901 888 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
902 889 <span class="s">}</span> | |
903 890 | |
904 891 <span class="c"># Write fingerprints string and other data to SD file...</span> | |
905 892 <span class="c">#</span> | |
906 893 <span class="c"># Note:</span> | |
907 894 <span class="c"># o FingerprintsStringMode, BitStringFormat, BitsOrder, VectorStringFormat values</span> | |
908 895 <span class="c"># are ignored during writing of fingerprints and it's written to the file as it is.</span> | |
909 896 <span class="c"># o CompoundString contains no fingerprints data</span> | |
910 897 <span class="c">#</span> | |
911 <a name="WriteFingerprintsString-"></a> 898 <span class="k">sub </span><span class="m">WriteFingerprintsString</span> <span class="s">{</span> | |
912 899 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsString</span><span class="cm">,</span> <span class="i">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
913 900 | |
914 901 <span class="c"># Initialize data for current compound...</span> | |
915 902 <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
916 903 | |
917 904 <span class="c"># Set fingerprints string...</span> | |
918 905 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span> | |
919 906 | |
920 907 <span class="c"># Generate fingerprints object...</span> | |
921 908 <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
922 909 | |
923 910 <span class="c"># Set and update compound string...</span> | |
924 911 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> | |
925 912 <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
926 913 | |
927 914 <span class="c"># Write it out...</span> | |
928 915 <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
929 916 | |
930 917 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
931 918 <span class="s">}</span> | |
932 919 | |
933 920 <span class="c"># Initialize compound data string for writing...</span> | |
934 921 <span class="c">#</span> | |
935 <a name="_InitializeWriteCompoundDataString-"></a> 922 <span class="k">sub </span><span class="m">_InitializeWriteCompoundDataString</span> <span class="s">{</span> | |
936 923 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
937 924 | |
938 925 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
939 926 | |
940 927 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> | |
941 928 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> | |
942 929 | |
943 930 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
944 931 <span class="s">}</span> | |
945 932 | |
946 933 <span class="c"># Writi compound data string...</span> | |
947 934 <span class="c">#</span> | |
948 <a name="_WriteCompoundDataString-"></a> 935 <span class="k">sub </span><span class="m">_WriteCompoundDataString</span> <span class="s">{</span> | |
949 936 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
950 937 <span class="k">my</span><span class="s">(</span><span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span> | |
951 938 | |
952 939 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span> | |
953 940 <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
954 941 <span class="s">}</span> | |
955 942 | |
956 943 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span> | |
957 944 <span class="i">$FileHandle</span> = <span class="i">$This</span>->{<span class="w">FileHandle</span>}<span class="sc">;</span> | |
958 945 | |
959 946 <span class="k">print</span> <span class="i">$FileHandle</span> <span class="q">"$This->{CompoundString}\n"</span><span class="sc">;</span> | |
960 947 | |
961 948 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
962 949 <span class="s">}</span> | |
963 950 | |
964 951 <span class="c"># Process first compound data string write...</span> | |
965 952 <span class="c">#</span> | |
966 <a name="_ProcessFirstCompoundDataStringWrite-"></a> 953 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringWrite</span> <span class="s">{</span> | |
967 954 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
968 955 <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span> | |
969 956 | |
970 957 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span> | |
971 958 | |
972 959 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
973 960 <span class="s">}</span> | |
974 961 | |
975 962 <span class="c"># Get ready for writing fingerprints SD file...</span> | |
976 963 <span class="c">#</span> | |
977 <a name="_PrepareForWritingFingerprintsSDFileData-"></a> 964 <span class="k">sub </span><span class="m">_PrepareForWritingFingerprintsSDFileData</span> <span class="s">{</span> | |
978 965 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
979 966 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="sc">;</span> | |
980 967 | |
981 968 <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span> | |
982 969 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">Overwrite</span>}<span class="s">)</span> <span class="s">{</span> | |
983 970 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span> <span class="s">{</span> | |
984 971 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, already exist. Use overwrite option..."</span><span class="sc">;</span> | |
985 972 <span class="s">}</span> | |
986 973 <span class="s">}</span> | |
987 974 | |
988 975 <span class="c"># Setup FingerprintsStringMode status...</span> | |
989 976 | |
990 977 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
991 978 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
992 979 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> | |
993 980 | |
994 981 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsBitVectorString$/i</span><span class="s">)</span> <span class="s">{</span> | |
995 982 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span> | |
996 983 <span class="s">}</span> | |
997 984 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span> | |
998 985 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span> | |
999 986 <span class="s">}</span> | |
1000 987 | |
1001 988 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} || <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
1002 989 | |
1003 990 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1004 991 <span class="i">$This</span><span class="i">->_SetDefaultBitStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
1005 992 <span class="i">$This</span><span class="i">->_SetDefaultBitsOrder</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
1006 993 <span class="s">}</span> | |
1007 994 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1008 995 <span class="i">$This</span><span class="i">->_SetDefaultVectorStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
1009 996 <span class="s">}</span> | |
1010 997 | |
1011 998 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1012 999 <span class="s">}</span> | |
1013 1000 | |
1014 1001 <span class="c"># Set default value for bit string format...</span> | |
1015 1002 <span class="c">#</span> | |
1016 <a name="_SetDefaultBitStringFormat-"></a>1003 <span class="k">sub </span><span class="m">_SetDefaultBitStringFormat</span> <span class="s">{</span> | |
1017 1004 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1018 1005 | |
1019 1006 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitStringFormat</span>}<span class="s">)</span> <span class="s">{</span> | |
1020 1007 <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultBitStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
1021 1008 <span class="s">}</span> | |
1022 1009 | |
1023 1010 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1024 1011 <span class="s">}</span> | |
1025 1012 | |
1026 1013 <span class="c"># Set default value for bit string format...</span> | |
1027 1014 <span class="c">#</span> | |
1028 <a name="_SetDefaultBitsOrder-"></a>1015 <span class="k">sub </span><span class="m">_SetDefaultBitsOrder</span> <span class="s">{</span> | |
1029 1016 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1030 1017 | |
1031 1018 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span> <span class="s">{</span> | |
1032 1019 <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultBitsOrder</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> | |
1033 1020 <span class="s">}</span> | |
1034 1021 | |
1035 1022 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1036 1023 <span class="s">}</span> | |
1037 1024 | |
1038 1025 <span class="c"># Set default value for vector string format...</span> | |
1039 1026 <span class="c">#</span> | |
1040 <a name="_SetDefaultVectorStringFormat-"></a>1027 <span class="k">sub </span><span class="m">_SetDefaultVectorStringFormat</span> <span class="s">{</span> | |
1041 1028 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1042 1029 | |
1043 1030 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} && <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span> <span class="s">{</span> | |
1044 1031 <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GetDefaultVectorStringFormat</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span><span class="sc">;</span> | |
1045 1032 <span class="s">}</span> | |
1046 1033 | |
1047 1034 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1048 1035 <span class="s">}</span> | |
1049 1036 | |
1050 1037 <span class="c"># Add fingerprints data to compound string...</span> | |
1051 1038 <span class="c">#</span> | |
1052 <a name="_AddFingerprintsDataToCompoundString-"></a>1039 <span class="k">sub </span><span class="m">_AddFingerprintsDataToCompoundString</span> <span class="s">{</span> | |
1053 1040 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1054 1041 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdString</span><span class="s">)</span><span class="sc">;</span> | |
1055 1042 | |
1056 1043 <span class="c"># Check and remove existing fingerprints data...</span> | |
1057 1044 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
1058 1045 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_AddFingerprintsDataToCompoundString: The compound string already contains fingerprints data corresponding to fingerprints field label $This->{FingerprintsFieldLabel}; It has been replaced with new fingerprints data..."</span><span class="sc">;</span> | |
1059 1046 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">SDFileUtil::RemoveCmpdDataHeaderLabelAndValue</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> | |
1060 1047 <span class="s">}</span> | |
1061 1048 | |
1062 1049 <span class="i">$CmpdString</span> = <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> | |
1063 1050 | |
1064 1051 <span class="i">$CmpdString</span> =~ <span class="q">s/\$\$\$\$$//</span><span class="sc">;</span> | |
1065 1052 | |
1066 1053 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="q">"${CmpdString}> <$This->{FingerprintsFieldLabel}>\n$This->{FingerprintsString}\n\n\$\$\$\$"</span><span class="sc">;</span> | |
1067 1054 | |
1068 1055 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1069 1056 <span class="s">}</span> | |
1070 1057 | |
1071 1058 <span class="c"># Is fingerprints data already present in compound string?</span> | |
1072 1059 <span class="c">#</span> | |
1073 <a name="_IsFingerprintsDataPresentInCompoundString-"></a>1060 <span class="k">sub </span><span class="m">_IsFingerprintsDataPresentInCompoundString</span> <span class="s">{</span> | |
1074 1061 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1075 1062 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> | |
1076 1063 | |
1077 1064 <span class="k">if</span> <span class="s">(</span><span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> || <span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
1078 1065 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> | |
1079 1066 <span class="s">}</span> | |
1080 1067 | |
1081 1068 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> | |
1082 1069 | |
1083 1070 <span class="k">return</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>} =~ <span class="q">/<$FingerprintsFieldLabel>/</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
1084 1071 <span class="s">}</span> | |
1085 1072 | |
1086 1073 <span class="c"># Generate fingerprints object using current fingerprints string...</span> | |
1087 1074 <span class="c">#</span> | |
1088 <a name="_GenerateFingerprintsObject-"></a>1075 <span class="k">sub </span><span class="m">_GenerateFingerprintsObject</span> <span class="s">{</span> | |
1089 1076 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1090 1077 | |
1091 1078 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> | |
1092 1079 | |
1093 1080 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span> <span class="s">{</span> | |
1094 1081 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1095 1082 <span class="s">}</span> | |
1096 1083 | |
1097 1084 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1098 1085 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::ParseFingerprintsBitVectorString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span><span class="sc">;</span> | |
1099 1086 <span class="s">}</span> | |
1100 1087 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1101 1088 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::ParseFingerprintsVectorString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span><span class="sc">;</span> | |
1102 1089 <span class="s">}</span> | |
1103 1090 <span class="k">else</span> <span class="s">{</span> | |
1104 1091 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> | |
1105 1092 <span class="s">}</span> | |
1106 1093 | |
1107 1094 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1108 1095 <span class="s">}</span> | |
1109 1096 | |
1110 1097 <span class="c"># Generate fingerprints string using current fingerprints object...</span> | |
1111 1098 <span class="c">#</span> | |
1112 <a name="_GenerateFingerprintsString-"></a>1099 <span class="k">sub </span><span class="m">_GenerateFingerprintsString</span> <span class="s">{</span> | |
1113 1100 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1114 1101 | |
1115 1102 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="q">''</span><span class="sc">;</span> | |
1116 1103 | |
1117 1104 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span> <span class="s">{</span> | |
1118 1105 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1119 1106 <span class="s">}</span> | |
1120 1107 | |
1121 1108 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1122 1109 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GenerateFingerprintsString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">BitStringFormat</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span><span class="sc">;</span> | |
1123 1110 <span class="s">}</span> | |
1124 1111 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> | |
1125 1112 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::GenerateFingerprintsString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>}<span class="s">)</span><span class="sc">;</span> | |
1126 1113 <span class="s">}</span> | |
1127 1114 | |
1128 1115 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> | |
1129 1116 <span class="s">}</span> | |
1130 1117 | |
1131 1118 <span class="c"># Is it a fingerprints file?</span> | |
1132 <a name="IsFingerprintsSDFile-"></a>1119 <span class="k">sub </span><span class="m">IsFingerprintsSDFile ($;$)</span> <span class="s">{</span> | |
1133 1120 <span class="k">my</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1134 1121 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$Status</span><span class="s">)</span><span class="sc">;</span> | |
1135 1122 | |
1136 1123 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@_</span> == <span class="n">2</span><span class="s">)</span> && <span class="s">(</span><span class="i">_IsFingerprintsSDFileIO</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> | |
1137 1124 <span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FileName</span><span class="s">)</span> = <span class="s">(</span><span class="i">$FirstParameter</span><span class="cm">,</span> <span class="i">$SecondParameter</span><span class="s">)</span><span class="sc">;</span> | |
1138 1125 <span class="s">}</span> | |
1139 1126 <span class="k">else</span> <span class="s">{</span> | |
1140 1127 <span class="i">$FileName</span> = <span class="i">$FirstParameter</span><span class="sc">;</span> | |
1141 1128 <span class="s">}</span> | |
1142 1129 | |
1143 1130 <span class="c"># Check file extension...</span> | |
1144 1131 <span class="i">$Status</span> = <span class="i">FileUtil::CheckFileType</span><span class="s">(</span><span class="i">$FileName</span><span class="cm">,</span> <span class="q">"sdf sd"</span><span class="s">)</span><span class="sc">;</span> | |
1145 1132 | |
1146 1133 <span class="k">return</span> <span class="i">$Status</span><span class="sc">;</span> | |
1147 1134 <span class="s">}</span> | |
1148 1135 | |
1149 1136 <span class="c"># Is it a FingerprintsSDFileIO object?</span> | |
1150 <a name="_IsFingerprintsSDFileIO-"></a>1137 <span class="k">sub </span><span class="m">_IsFingerprintsSDFileIO</span> <span class="s">{</span> | |
1151 1138 <span class="k">my</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> | |
1152 1139 | |
1153 1140 <span class="k">return</span> <span class="s">(</span><span class="i">Scalar::Util::blessed</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> && <span class="i">$Object</span><span class="i">->isa</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> | |
1154 1141 <span class="s">}</span> | |
1155 1142 | |
1156 <a name="EOF-"></a></pre> | |
1157 <p> </p> | |
1158 <br /> | |
1159 <center> | |
1160 <img src="../../../images/h2o2.png"> | |
1161 </center> | |
1162 </body> | |
1163 </html> |