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| author | deepakjadmin |
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| date | Thu, 15 Dec 2016 14:18:03 -0500 |
| parents | 73ae111cf86f |
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<html> <head> <title>MayaChemTools:Code:FileIO::FingerprintsSDFileIO.pm</title> <meta http-equiv="content-type" content="text/html;charset=utf-8"> <link rel="stylesheet" type="text/css" href="../../../css/MayaChemToolsCode.css"> </head> <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> <br/> <center> <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> </center> <br/> <pre> <a name="package-FileIO::FingerprintsSDFileIO-"></a> 1 <span class="k">package </span><span class="i">FileIO::FingerprintsSDFileIO</span><span class="sc">;</span> 2 <span class="c">#</span> 3 <span class="c"># $RCSfile: FingerprintsSDFileIO.pm,v $</span> 4 <span class="c"># $Date: 2015/02/28 20:48:43 $</span> 5 <span class="c"># $Revision: 1.18 $</span> 6 <span class="c">#</span> 7 <span class="c"># Author: Manish Sud <msud@san.rr.com></span> 8 <span class="c">#</span> 9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span> 10 <span class="c">#</span> 11 <span class="c"># This file is part of MayaChemTools.</span> 12 <span class="c">#</span> 13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span> 14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span> 15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span> 16 <span class="c"># later version.</span> 17 <span class="c">#</span> 18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span> 19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span> 20 <span class="c"># for a particular purpose. See the GNU Lesser General Public License for more</span> 21 <span class="c"># details.</span> 22 <span class="c">#</span> 23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span> 24 <span class="c"># along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or</span> 25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span> 26 <span class="c"># Boston, MA, 02111-1307, USA.</span> 27 <span class="c">#</span> 28 29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span> 30 <span class="k">use</span> <span class="w">Carp</span><span class="sc">;</span> 31 <span class="k">use</span> <span class="w">Exporter</span><span class="sc">;</span> 32 <span class="k">use</span> <span class="w">Scalar::Util</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 33 <span class="k">use</span> <span class="w">TextUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 34 <span class="k">use</span> <span class="w">FileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 35 <span class="k">use</span> <span class="w">SDFileUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 36 <span class="k">use</span> <span class="w">Fingerprints::FingerprintsStringUtil</span> <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 37 <span class="k">use</span> <span class="w">FileIO::FileIO</span><span class="sc">;</span> 38 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> 40 41 <span class="i">@ISA</span> = <span class="q">qw(FileIO::FileIO Exporter)</span><span class="sc">;</span> 42 <span class="i">@EXPORT</span> = <span class="q">qw()</span><span class="sc">;</span> 43 <span class="i">@EXPORT_OK</span> = <span class="q">qw(IsFingerprintsSDFile)</span><span class="sc">;</span> 44 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> 46 47 <span class="c"># Setup class variables...</span> 48 <span class="k">my</span><span class="s">(</span><span class="i">$ClassName</span><span class="s">)</span><span class="sc">;</span> 49 <span class="i">_InitializeClass</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 50 51 <span class="c"># Class constructor...</span> <a name="new-"></a> 52 <span class="k">sub </span><span class="m">new</span> <span class="s">{</span> 53 <span class="k">my</span><span class="s">(</span><span class="i">$Class</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 54 55 <span class="c"># Initialize object...</span> 56 <span class="k">my</span> <span class="i">$This</span> = <span class="i">$Class</span><span class="i">->SUPER::new</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 57 <span class="k">bless</span> <span class="i">$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> 58 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIO</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 59 60 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> 61 62 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 63 <span class="s">}</span> 64 65 <span class="c"># Initialize object data...</span> 66 <span class="c">#</span> <a name="_InitializeFingerprintsSDFileIO-"></a> 67 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIO</span> <span class="s">{</span> 68 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 69 70 <span class="c"># Fingerprints string data format during read/write...</span> 71 <span class="c">#</span> 72 <span class="c"># For file read:</span> 73 <span class="c">#</span> 74 <span class="c"># AutoDetect - automatically detect format of fingerprints string</span> 75 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> 76 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> 77 <span class="c">#</span> 78 <span class="c"># Default value: AutoDetect</span> 79 <span class="c">#</span> 80 <span class="c"># For file write:</span> 81 <span class="c">#</span> 82 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> 83 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> 84 <span class="c">#</span> 85 <span class="c"># Default value: undef</span> 86 <span class="c">#</span> 87 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="k">undef</span><span class="sc">;</span> 88 89 <span class="c"># For file read:</span> 90 <span class="c">#</span> 91 <span class="c"># o Fingerprints bit-vector and vector object for current fingerprints string</span> 92 <span class="c">#</span> 93 <span class="c"># For file write:</span> 94 <span class="c">#</span> 95 <span class="c"># o Fingerprints bit-vector and vector object for current fingerprints string</span> 96 <span class="c"># o Any supported fingerprints object: PathLengthFingerprints, ExtendedConnectivity, and so on.</span> 97 <span class="c">#</span> 98 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> 99 100 <span class="c"># Fingerprints SD file data field label during read/write</span> 101 <span class="c">#</span> 102 <span class="c"># For file read:</span> 103 <span class="c">#</span> 104 <span class="c"># Value of AutoDetect implies use first data field containing the word Fingerprints in its</span> 105 <span class="c"># data field label to retrieve fingerprints string data. Othwewise, a valid data field name</span> 106 <span class="c"># must be specified.</span> 107 <span class="c">#</span> 108 <span class="c"># For file write:</span> 109 <span class="c">#</span> 110 <span class="c"># Data field label to use for writing fingerprints string. Default: Fingerprints</span> 111 <span class="c">#</span> 112 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span> 113 114 <span class="c"># Fingepritns string for current line during read/write...</span> 115 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> 116 117 <span class="c"># First compound data string read/write...</span> 118 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">1</span><span class="sc">;</span> 119 120 <span class="c"># Current fingerprints string data compound number during read/write...</span> 121 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} = <span class="n">0</span><span class="sc">;</span> 122 123 <span class="c"># Compound data string during read/write...</span> 124 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> 125 126 <span class="c"># Initialize parameters for read...</span> 127 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIORead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 128 129 <span class="c"># Initialize parameters for write...</span> 130 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 131 132 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 133 <span class="s">}</span> 134 135 <span class="c"># Initialize class ...</span> <a name="_InitializeClass-"></a> 136 <span class="k">sub </span><span class="m">_InitializeClass</span> <span class="s">{</span> 137 <span class="c">#Class name...</span> 138 <span class="i">$ClassName</span> = <span class="w">__PACKAGE__</span><span class="sc">;</span> 139 140 <span class="s">}</span> 141 142 <span class="c"># Initialize object data for reading fingerprints SD file...</span> 143 <span class="c">#</span> <a name="_InitializeFingerprintsSDFileIORead-"></a> 144 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIORead</span> <span class="s">{</span> 145 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 146 147 <span class="c"># Compound ID mode to use for retrieving compound IDs for fingerprints...</span> 148 <span class="c">#</span> 149 <span class="c"># Specify how to generate compound IDs: use a SD file datafield value; use molname line from</span> 150 <span class="c"># SD file; generate a sequential ID with specific prefix; use combination of both MolName and</span> 151 <span class="c"># LabelPrefix with usage of LabelPrefix values for empty molname lines.</span> 152 <span class="c">#</span> 153 <span class="c"># Possible values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix. Default: LabelPrefix.</span> 154 <span class="c">#</span> 155 <span class="c"># For MolNameAndLabelPrefix value of CompoundIDMode, molname line in SD file takes precedence over</span> 156 <span class="c"># sequential compound IDs generated using LabelPrefix and only empty molname values are replaced</span> 157 <span class="c"># with sequential compound IDs.</span> 158 <span class="c">#</span> 159 <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="q">'LabelPrefix'</span><span class="sc">;</span> 160 161 <span class="c">#</span> 162 <span class="c"># Compound ID data field label name whose value is used as compound ID during DatafField value of</span> 163 <span class="c"># CompoundIDMode</span> 164 <span class="c">#</span> 165 <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>} = <span class="k">undef</span><span class="sc">;</span> 166 167 <span class="c"># A prefix string used for generating compound IDs like LabelPrefixString<Number> during LabelPrefix</span> 168 <span class="c"># or MolNameOrLabelPrefix value of CompoundIDMode. Default value, Cmpd, generates compound IDs</span> 169 <span class="c"># which look like Cmpd<Number>.</span> 170 <span class="c">#</span> 171 <span class="i">$This</span>->{<span class="w">CompoundIDPrefix</span>} = <span class="q">'Cmpd'</span><span class="sc">;</span> 172 173 <span class="c"># By default, the fingerprints data corresponding to FingerprintsCol is assumed to</span> 174 <span class="c"># be valid and no validation is performed before generating fingerprints objects...</span> 175 <span class="c">#</span> 176 <span class="i">$This</span>->{<span class="w">ValidateData</span>} = <span class="n">1</span><span class="sc">;</span> 177 178 <span class="c"># Level of detail to print during validation of data for invalid or missing data...</span> 179 <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="n">1</span><span class="sc">;</span> 180 181 <span class="c"># Number of missing and invalid fingerprints string data compound strings...</span> 182 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} = <span class="n">0</span><span class="sc">;</span> 183 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} = <span class="n">0</span><span class="sc">;</span> 184 185 <span class="c"># Compound ID for current fingerprints string...</span> 186 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span> 187 188 <span class="c"># Compound data field labels and values map for current compound data...</span> 189 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 190 191 <span class="c"># Status of data in fingerprints SD file...</span> 192 <span class="i">$This</span>->{<span class="w">ValidFileData</span>} = <span class="n">0</span><span class="sc">;</span> 193 194 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span> 195 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span> 196 197 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 198 199 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 200 <span class="s">}</span> 201 202 <span class="c"># Initialize object data for writing fingerprints SD file...</span> 203 <span class="c">#</span> <a name="_InitializeFingerprintsSDFileIOWrite-"></a> 204 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWrite</span> <span class="s">{</span> 205 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 206 207 <span class="c"># Fingerprints bit vector string format...</span> 208 <span class="c">#</span> 209 <span class="c"># Possible values: BinaryString or HexadecimalString [Default]</span> 210 <span class="c">#</span> 211 <span class="c"># Default BitStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitStringFormat.</span> 212 <span class="c">#</span> 213 <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span> 214 215 <span class="c"># Bits order in fingerprints bit vector string...</span> 216 <span class="c">#</span> 217 <span class="c"># Ascending - First bit in each byte as the lowest bit [Default]</span> 218 <span class="c"># Descending - First bit in each byte as the highest bit</span> 219 <span class="c">#</span> 220 <span class="c"># Default BitsOrder is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultBitsOrder.</span> 221 <span class="c">#</span> 222 <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="k">undef</span><span class="sc">;</span> 223 224 <span class="c"># Fingerprints vector string format...</span> 225 <span class="c">#</span> 226 <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span> 227 <span class="c">#</span> 228 <span class="c"># Default VectorStringFormat is set during first write using Fingerprints::FingerprintsStringUtil::GetDefaultVectorStringFormat.</span> 229 <span class="c"># For fingerprints vector object containing vector NumericalValues, it corresponds to IDsAndValuesString; othwerwise,</span> 230 <span class="c"># it's set to ValuesString.</span> 231 <span class="c">#</span> 232 <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="k">undef</span><span class="sc">;</span> 233 234 <span class="c"># Overwriting existing file...</span> 235 <span class="i">$This</span>->{<span class="w">Overwrite</span>} = <span class="n">0</span><span class="sc">;</span> 236 237 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 238 <span class="s">}</span> 239 240 <span class="c"># Initialize object values...</span> <a name="_InitializeFingerprintsSDFileIOProperties-"></a> 241 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOProperties</span> <span class="s">{</span> 242 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 243 244 <span class="c"># All other property names and values along with all Set/Get<PropertyName> methods</span> 245 <span class="c"># are implemented on-demand using ObjectProperty class.</span> 246 247 <span class="k">my</span><span class="s">(</span><span class="i">$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> 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> 249 <span class="i">$MethodName</span> = <span class="q">"Set${Name}"</span><span class="sc">;</span> 250 <span class="i">$This</span><span class="i">->$MethodName</span><span class="s">(</span><span class="i">$Value</span><span class="s">)</span><span class="sc">;</span> 251 <span class="s">}</span> 252 253 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="s">)</span> <span class="s">{</span> 254 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying file name..."</span><span class="sc">;</span> 255 <span class="s">}</span> 256 257 <span class="c"># Make sure it's a fingerprints file...</span> 258 <span class="i">$Name</span> = <span class="i">$NamesAndValues</span>{<span class="w">Name</span>}<span class="sc">;</span> 259 <span class="k">if</span> <span class="s">(</span>!<span class="i">$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> 260 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $Name, doesn't appear to be fingerprints format..."</span><span class="sc">;</span> 261 <span class="s">}</span> 262 263 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->GetMode</span><span class="s">(</span><span class="s">)</span> =~ <span class="q">/^Read$/i</span><span class="s">)</span> <span class="s">{</span> 264 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOReadProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> 265 <span class="s">}</span> 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> 267 <span class="i">$This</span><span class="i">->_InitializeFingerprintsSDFileIOWriteProperties</span><span class="s">(</span><span class="i">%NamesAndValues</span><span class="s">)</span><span class="sc">;</span> 268 <span class="s">}</span> 269 270 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 271 <span class="s">}</span> 272 273 <span class="c"># Initialize object properties for reading fingerprints SD file...</span> 274 <span class="c">#</span> <a name="_InitializeFingerprintsSDFileIOReadProperties-"></a> 275 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOReadProperties</span> <span class="s">{</span> 276 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 277 278 <span class="c"># Set default value for FingerprintsStringMode...</span> 279 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>}<span class="s">)</span> <span class="s">{</span> 280 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span> 281 <span class="s">}</span> 282 283 <span class="c"># Set default value for FingerprintsFieldLabel...</span> 284 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> 285 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'AutoDetect'</span><span class="sc">;</span> 286 <span class="s">}</span> 287 288 <span class="c"># Check compound ID data field...</span> 289 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">$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> 290 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: Compound ID data field lable must be specifed using \"CompoundIDFieldLabel\" during \"DataField\" value of \"CompoundIDMode\"..."</span><span class="sc">;</span> 291 <span class="s">}</span> 292 293 <span class="i">$This</span><span class="i">->_PrepareForReadingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 294 295 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 296 <span class="s">}</span> 297 298 <span class="c"># Initialize object properties for writing fingerprints SD file...</span> 299 <span class="c">#</span> <a name="_InitializeFingerprintsSDFileIOWriteProperties-"></a> 300 <span class="k">sub </span><span class="m">_InitializeFingerprintsSDFileIOWriteProperties</span> <span class="s">{</span> 301 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">%NamesAndValues</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 302 303 <span class="c"># Check FingerprintsStringMode value...</span> 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> 305 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated without specifying FingerprintsStringMode..."</span><span class="sc">;</span> 306 <span class="s">}</span> 307 308 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} !~ <span class="q">/^(FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span> 309 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->: Object can't be instantiated: FingerprintsStringMode value, $This->{FingerprintsStringMode}, is not valid; Supported values for write/append: FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span> 310 <span class="s">}</span> 311 312 <span class="c"># Set default value for FingerprintsFieldLabel...</span> 313 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> 314 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="q">'Fingerprints'</span><span class="sc">;</span> 315 <span class="s">}</span> 316 317 <span class="i">$This</span><span class="i">->_PrepareForWritingFingerprintsSDFileData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 318 319 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 320 <span class="s">}</span> 321 322 <span class="c"># Set FingerprintsStringMode...</span> 323 <span class="c">#</span> <a name="SetFingerprintsStringMode-"></a> 324 <span class="k">sub </span><span class="m">SetFingerprintsStringMode</span> <span class="s">{</span> 325 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$Value</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 326 327 <span class="c"># AutoDetect - automatically detect format of fingerprints string</span> 328 <span class="c"># FingerprintsBitVectorString - Bit vector fingerprints string format</span> 329 <span class="c"># FingerprintsVectorString - Vector fingerprints string format</span> 330 331 <span class="k">if</span> <span class="s">(</span><span class="i">$Value</span> !~ <span class="q">/^(AutoDetect|FingerprintsBitVectorString|FingerprintsVectorString)$/i</span><span class="s">)</span> <span class="s">{</span> 332 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: FingerprintsStringMode value, $Value, is not valid; Supported values: AutoDetect, FingerprintsBitVectorString or FingerprintsVectorString..."</span><span class="sc">;</span> 333 <span class="s">}</span> 334 335 <span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} = <span class="i">$Value</span><span class="sc">;</span> 336 337 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 338 <span class="s">}</span> 339 340 <span class="c"># Set CompoundIDMode...</span> 341 <span class="c">#</span> <a name="SetCompoundIDMode-"></a> 342 <span class="k">sub </span><span class="m">SetCompoundIDMode</span> <span class="s">{</span> 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> 344 345 <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> 346 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetFingerprintsStringMode: CompoundIDMode value, $Value, is not valid; Supported values: DataField, MolName, LabelPrefix, or MolNameOrLabelPrefix..."</span><span class="sc">;</span> 347 <span class="s">}</span> 348 349 <span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} = <span class="i">$Value</span><span class="sc">;</span> 350 351 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 352 <span class="s">}</span> 353 354 <span class="c"># Set DetailLevel...</span> 355 <span class="c">#</span> <a name="SetDetailLevel-"></a> 356 <span class="k">sub </span><span class="m">SetDetailLevel</span> <span class="s">{</span> 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> 358 359 <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> 360 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetDetailLevel: DetailLevel value, $Value, is not valid; Supported values: > 0..."</span><span class="sc">;</span> 361 <span class="s">}</span> 362 363 <span class="i">$This</span>->{<span class="w">DetailLevel</span>} = <span class="i">$Value</span><span class="sc">;</span> 364 365 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 366 <span class="s">}</span> 367 368 <span class="c"># Set BitStringFormat...</span> 369 <span class="c">#</span> <a name="SetBitStringFormat-"></a> 370 <span class="k">sub </span><span class="m">SetBitStringFormat</span> <span class="s">{</span> 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> 372 373 <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> 374 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitStringFormat: BitStringFormat value, $Value, is not valid; Supported values: BinaryString or HexadecimalString..."</span><span class="sc">;</span> 375 <span class="s">}</span> 376 377 <span class="i">$This</span>->{<span class="w">BitStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span> 378 379 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 380 <span class="s">}</span> 381 382 <span class="c"># Set BitsOrder...</span> 383 <span class="c">#</span> <a name="SetBitsOrder-"></a> 384 <span class="k">sub </span><span class="m">SetBitsOrder</span> <span class="s">{</span> 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> 386 387 <span class="c"># Ascending - First bit in each byte as the lowest bit</span> 388 <span class="c"># Descending - First bit in each byte as the highest bit</span> 389 <span class="c">#</span> 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> 391 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetBitsOrder: FingerprintsStringMode value, $Value, is not valid; Supported values: Ascending or Descending..."</span><span class="sc">;</span> 392 <span class="s">}</span> 393 394 <span class="i">$This</span>->{<span class="w">BitsOrder</span>} = <span class="i">$Value</span><span class="sc">;</span> 395 396 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 397 <span class="s">}</span> 398 399 <span class="c"># Set VectorStringFormat...</span> 400 <span class="c">#</span> <a name="SetVectorStringFormat-"></a> 401 <span class="k">sub </span><span class="m">SetVectorStringFormat</span> <span class="s">{</span> 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> 403 404 <span class="c"># Possible values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, ValuesString</span> 405 406 <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> 407 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->SetVectorStringFormat: FingerprintsStringMode value, $Value, is not valid; Supported values: IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString, ValuesAndIDsPairsString, or ValuesString..."</span><span class="sc">;</span> 408 <span class="s">}</span> 409 410 <span class="i">$This</span>->{<span class="w">VectorStringFormat</span>} = <span class="i">$Value</span><span class="sc">;</span> 411 412 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 413 <span class="s">}</span> 414 415 <span class="c"># Get compound string for current compound with optional removal of fingerprints data..</span> 416 <span class="c">#</span> <a name="GetCompoundString-"></a> 417 <span class="k">sub </span><span class="m">GetCompoundString</span> <span class="s">{</span> 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> 419 420 <span class="i">$RemoveFingerprintsData</span> = <span class="k">defined</span> <span class="i">$RemoveFingerprintsData</span> ? <span class="i">$RemoveFingerprintsData</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 421 422 <span class="k">if</span> <span class="s">(</span><span class="i">$RemoveFingerprintsData</span> && <span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 423 <span class="k">return</span> <span class="i">SDFileUtil::RemoveCmpdDataHeaderLabelAndValue</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="cm">,</span> <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> 424 <span class="s">}</span> 425 426 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> 427 <span class="s">}</span> 428 429 <span class="c"># Set compound string for current compound..</span> 430 <span class="c">#</span> <a name="SetCompoundString-"></a> 431 <span class="k">sub </span><span class="m">SetCompoundString</span> <span class="s">{</span> 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> 433 434 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> 435 436 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 437 <span class="s">}</span> 438 439 <span class="c"># Get fingerprints object for current compound using fingerprints, fingerprints bit-vector</span> 440 <span class="c"># fingerprints vector object. Fingerprints object correspond to any of supported fingerprints</span> 441 <span class="c"># objects such as PathLengthFingerprints, ExtendedConnectivity, and so on.</span> 442 <span class="c">#</span> <a name="GetFingerprints-"></a> 443 <span class="k">sub </span><span class="m">GetFingerprints</span> <span class="s">{</span> 444 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 445 446 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="sc">;</span> 447 <span class="s">}</span> 448 449 <span class="c"># Set fingerprints object for current compound...</span> 450 <span class="c">#</span> <a name="SetFingerprints-"></a> 451 <span class="k">sub </span><span class="m">SetFingerprints</span> <span class="s">{</span> 452 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsObject</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 453 454 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span> 455 456 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 457 <span class="s">}</span> 458 459 <span class="c"># Get fingerprints string for current compound...</span> 460 <span class="c">#</span> <a name="GetFingerprintsString-"></a> 461 <span class="k">sub </span><span class="m">GetFingerprintsString</span> <span class="s">{</span> 462 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 463 464 <span class="k">return</span> <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} ? <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} <span class="co">:</span> <span class="q">'None'</span><span class="sc">;</span> 465 <span class="s">}</span> 466 467 <span class="c"># Set fingerprints string for current compound...</span> 468 <span class="c">#</span> <a name="SetFingerprintsString-"></a> 469 <span class="k">sub </span><span class="m">SetFingerprintsString</span> <span class="s">{</span> 470 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="cm">,</span> <span class="i">$FingerprintsString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 471 472 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span> 473 474 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 475 <span class="s">}</span> 476 477 <span class="c"># Does fingerprints SD file contain valid data?</span> 478 <span class="c">#</span> <a name="IsFingerprintsFileDataValid-"></a> 479 <span class="k">sub </span><span class="m">IsFingerprintsFileDataValid</span> <span class="s">{</span> 480 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 481 482 <span class="k">return</span> <span class="i">$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> 483 <span class="s">}</span> 484 485 <span class="c"># Does current compound contains valid fingerprints object data?</span> 486 <span class="c">#</span> <a name="IsFingerprintsDataValid-"></a> 487 <span class="k">sub </span><span class="m">IsFingerprintsDataValid</span> <span class="s">{</span> 488 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 489 490 <span class="k">return</span> <span class="k">defined</span> <span class="i">$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> 491 <span class="s">}</span> 492 493 <span class="c"># Read next available compound data string, process it and generate appropriate fingerprints</span> 494 <span class="c"># objects...</span> 495 <span class="c">#</span> <a name="Read-"></a> 496 <span class="k">sub </span><span class="m">Read</span> <span class="s">{</span> 497 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 498 499 <span class="c"># Read compound data string...</span> 500 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 501 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> 502 <span class="s">}</span> 503 504 <span class="c"># No need to process invalid SD file with invalid data...</span> 505 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">ValidFileData</span>}<span class="s">)</span> <span class="s">{</span> 506 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span> 507 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span> 508 <span class="s">}</span> 509 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 510 <span class="s">}</span> 511 512 <span class="c"># Perform data validation...</span> 513 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidateData</span>}<span class="s">)</span> <span class="s">{</span> 514 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span><span class="i">->_ValidateReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 515 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 516 <span class="s">}</span> 517 <span class="s">}</span> 518 519 <span class="c"># Setup fingerprints string after checking again to handle problematic data for</span> 520 <span class="c"># non-validated compound string data...</span> 521 <span class="c">#</span> 522 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> 523 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> 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> 525 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="sc">;</span> 526 <span class="s">}</span> 527 528 <span class="c"># Generate fingeprints object...</span> 529 <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 530 531 <span class="c"># Setup fingerprints compound ID for fingerprints string...</span> 532 <span class="i">$This</span><span class="i">->_GenerateCompoundID</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 533 534 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 535 <span class="s">}</span> 536 537 <span class="c"># Read next available compound data string, process it and generate appropriate fingerprints</span> 538 <span class="c"># objects...</span> 539 <span class="c">#</span> <a name="Next-"></a> 540 <span class="k">sub </span><span class="m">Next</span> <span class="s">{</span> 541 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 542 543 <span class="k">return</span> <span class="i">$This</span><span class="i">->Read</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 544 <span class="s">}</span> 545 546 <span class="c"># Read compound data string...</span> 547 <span class="c">#</span> <a name="_ReadCompoundDataString-"></a> 548 <span class="k">sub </span><span class="m">_ReadCompoundDataString</span> <span class="s">{</span> 549 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 550 <span class="k">my</span><span class="s">(</span><span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 551 552 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span> 553 <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringRead</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 554 <span class="s">}</span> 555 556 <span class="c"># Initialize data for current compound data string...</span> 557 <span class="i">$This</span><span class="i">->_InitializeReadCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 558 559 <span class="c"># Get next compound data line...</span> 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> 561 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> <span class="s">{</span> 562 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 563 <span class="s">}</span> 564 565 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span> 566 567 <span class="c"># Set up data field labels and values...</span> 568 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> 569 <span class="i">%</span>{<span class="i">$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> 570 571 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> 572 <span class="s">}</span> 573 574 <span class="c"># Initialize compound data string for reading...</span> 575 <span class="c">#</span> <a name="_InitializeReadCompoundDataString-"></a> 576 <span class="k">sub </span><span class="m">_InitializeReadCompoundDataString</span> <span class="s">{</span> 577 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 578 579 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="k">undef</span><span class="sc">;</span> 580 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> 581 582 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 583 584 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> 585 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> 586 587 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 588 <span class="s">}</span> 589 590 <span class="c"># Validate compound data string containing fingerprints data...</span> 591 <span class="c">#</span> <a name="_ValidateReadCompoundDataString-"></a> 592 <span class="k">sub </span><span class="m">_ValidateReadCompoundDataString</span> <span class="s">{</span> 593 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 594 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> 595 596 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> 597 598 <span class="c"># Check for missing data...</span> 599 <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span> <span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span> <span class="s">{</span> 600 <span class="c"># Missing data...</span> 601 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithMissingData</span>} += <span class="n">1</span><span class="sc">;</span> 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> 603 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data: $This->{CompoundString}..."</span><span class="sc">;</span> 604 <span class="s">}</span> 605 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 606 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains no fingerprints data..."</span><span class="sc">;</span> 607 <span class="s">}</span> 608 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 609 <span class="s">}</span> 610 611 <span class="c"># Check for invalid data...</span> 612 <span class="k">my</span><span class="s">(</span><span class="i">$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> 613 614 <span class="i">$InvalidFingerprintsData</span> = <span class="n">0</span><span class="sc">;</span> 615 616 <span class="k">if</span> <span class="s">(</span><span class="i">Fingerprints::FingerprintsStringUtil::AreFingerprintsStringValuesValid</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">DataFieldLabelsAndValues</span>}{<span class="i">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 617 <span class="s">(</span><span class="i">$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">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> 618 <span class="k">if</span> <span class="s">(</span><span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsType</span><span class="s">)</span> && <span class="k">defined</span><span class="s">(</span><span class="i">$FingerprintsDescription</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 619 <span class="k">if</span> <span class="s">(</span><span class="i">$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$/i</span><span class="s">)</span> <span class="s">{</span> 620 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> 621 <span class="s">}</span> 622 <span class="s">}</span> 623 <span class="k">else</span> <span class="s">{</span> 624 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> 625 <span class="s">}</span> 626 <span class="s">}</span> 627 <span class="k">else</span> <span class="s">{</span> 628 <span class="i">$InvalidFingerprintsData</span> = <span class="n">1</span><span class="sc">;</span> 629 <span class="s">}</span> 630 631 <span class="k">if</span> <span class="s">(</span><span class="i">$InvalidFingerprintsData</span><span class="s">)</span> <span class="s">{</span> 632 <span class="i">$This</span>->{<span class="w">NumOfCmpdsWithInvalidData</span>} += <span class="n">1</span><span class="sc">;</span> 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> 634 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data: $This->{DataLine}..."</span><span class="sc">;</span> 635 <span class="s">}</span> 636 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">DetailLevel</span>} >= <span class="n">2</span><span class="s">)</span> <span class="s">{</span> 637 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundDataString: Compound number $This->{CompoundNum} contains invalid fingerprints data..."</span><span class="sc">;</span> 638 <span class="s">}</span> 639 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 640 <span class="s">}</span> 641 642 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> 643 <span class="s">}</span> 644 645 <span class="c"># Setup fingerprints compound ID for fingerprints string...</span> <a name="_GenerateCompoundID-"></a> 646 <span class="k">sub </span><span class="m">_GenerateCompoundID</span> <span class="s">{</span> 647 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 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> 649 650 <span class="i">$CompoundID</span> = <span class="q">''</span><span class="sc">;</span> 651 652 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^LabelPrefix$/i</span><span class="s">)</span> <span class="s">{</span> 653 <span class="i">$CompoundID</span> = <span class="q">"$This->{CompoundIDPrefix}$This->{CompoundNum}"</span><span class="sc">;</span> 654 <span class="s">}</span> 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> 656 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span> 657 <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span> 658 <span class="i">$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> 659 <span class="s">}</span> 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> 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> 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}$This->{CompoundNum}"</span><span class="sc">;</span> 663 <span class="s">}</span> 664 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^MolName$/i</span><span class="s">)</span> <span class="s">{</span> 665 <span class="s">(</span><span class="i">$MolName</span><span class="s">)</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> 666 <span class="i">$CompoundID</span> = <span class="i">$MolName</span><span class="sc">;</span> 667 <span class="s">}</span> 668 669 <span class="i">$This</span>->{<span class="w">CompoundID</span>} = <span class="i">$CompoundID</span><span class="sc">;</span> 670 671 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 672 <span class="s">}</span> 673 674 <span class="c"># Process first compound data string read...</span> 675 <span class="c">#</span> <a name="_ProcessFirstCompoundDataStringRead-"></a> 676 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringRead</span> <span class="s">{</span> 677 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 678 <span class="k">my</span><span class="s">(</span><span class="i">$Line</span><span class="cm">,</span> <span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span> 679 680 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span> 681 682 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 683 <span class="s">}</span> 684 685 <span class="c"># Get ready for reading fingerprints SD file...</span> 686 <span class="c">#</span> <a name="_PrepareForReadingFingerprintsSDFileData-"></a> 687 <span class="k">sub </span><span class="m">_PrepareForReadingFingerprintsSDFileData</span> <span class="s">{</span> 688 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 689 690 <span class="c"># Retrieve SD file data fields information....</span> 691 <span class="i">$This</span><span class="i">->_RetrieveSDFileDataFields</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 692 693 <span class="c"># Validate compound and fingerprints field information...</span> 694 <span class="i">$This</span><span class="i">->_ValidateReadCompoundIDField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 695 <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsField</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 696 697 <span class="c"># Validate fingeprints string mode information...</span> 698 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>}<span class="s">)</span> <span class="s">{</span> 699 <span class="i">$This</span><span class="i">->_ValidateReadFingerprintsStringMode</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 700 <span class="s">}</span> 701 702 <span class="c"># Set status of SD file data...</span> 703 <span class="i">$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">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 704 705 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 706 <span class="s">}</span> 707 708 <span class="c"># Retrieve information data fields and fingerprints string...</span> 709 <span class="c">#</span> <a name="_RetrieveSDFileDataFields-"></a> 710 <span class="k">sub </span><span class="m">_RetrieveSDFileDataFields</span> <span class="s">{</span> 711 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 712 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="cm">,</span> <span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 713 714 <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span> 715 716 <span class="k">if</span> <span class="s">(</span>!<span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 717 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, doesn't exist..."</span><span class="sc">;</span> 718 <span class="s">}</span> 719 720 <span class="k">if</span> <span class="s">(</span>!<span class="k">open</span> <span class="w">SDFILE</span><span class="cm">,</span> <span class="q">"$SDFile"</span><span class="s">)</span> <span class="s">{</span> 721 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: Couldn't open input SD file $SDFile: $! ..."</span><span class="sc">;</span> 722 <span class="s">}</span> 723 <span class="i">$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> 724 <span class="k">close</span> <span class="w">SDFILE</span><span class="sc">;</span> 725 726 <span class="c"># Set up data field labels and values for first compound string data...</span> 727 <span class="i">@CmpdLines</span> = <span class="k">split</span> <span class="q">"\n"</span><span class="cm">,</span> <span class="i">$CmpdString</span><span class="sc">;</span> 728 729 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span> 730 <span class="i">%</span>{<span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}} = <span class="i">SDFileUtil::GetCmpdDataHeaderLabelsAndValues</span><span class="s">(</span>\<span class="i">@CmpdLines</span><span class="s">)</span><span class="sc">;</span> 731 732 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 733 <span class="s">}</span> 734 735 <span class="c"># Validate compound ID field information...</span> 736 <span class="c">#</span> <a name="_ValidateReadCompoundIDField-"></a> 737 <span class="k">sub </span><span class="m">_ValidateReadCompoundIDField</span> <span class="s">{</span> 738 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 739 <span class="k">my</span><span class="s">(</span><span class="i">$SpecifiedDataField</span><span class="s">)</span><span class="sc">;</span> 740 741 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">0</span><span class="sc">;</span> 742 743 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundIDMode</span>} =~ <span class="q">/^DataField$/i</span><span class="s">)</span> <span class="s">{</span> 744 <span class="i">$SpecifiedDataField</span> = <span class="i">$This</span>->{<span class="w">CompoundIDFieldLabel</span>}<span class="sc">;</span> 745 <span class="k">if</span> <span class="s">(</span>! <span class="k">exists</span> <span class="i">$This</span>->{<span class="w">FirstDataFieldLabelsAndValues</span>}{<span class="i">$SpecifiedDataField</span>}<span class="s">)</span> <span class="s">{</span> 746 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadCompoundIDField: Compound ID data field, $SpecifiedDataField, specified using \"CompoundIDField\" in \"DataField\" \"CompoundIDMode\" doesn't exist..."</span><span class="sc">;</span> 747 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 748 <span class="s">}</span> 749 <span class="s">}</span> 750 751 <span class="i">$This</span>->{<span class="w">ValidCompoundIDField</span>} = <span class="n">1</span><span class="sc">;</span> 752 753 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> 754 <span class="s">}</span> 755 756 <span class="c"># Validate fingerprints string field information...</span> 757 <span class="c">#</span> <a name="_ValidateReadFingerprintsField-"></a> 758 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsField</span> <span class="s">{</span> 759 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 760 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> 761 762 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">0</span><span class="sc">;</span> 763 764 <span class="i">$FingerprintsFieldLabel</span> = <span class="q">''</span><span class="sc">;</span> 765 766 <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> 767 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> 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> 769 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Fingerprints data field value, $FingerprintsFieldLabel, specified using \"FingerprintsFieldLabel\" doesn't exist..."</span><span class="sc">;</span> 770 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 771 <span class="s">}</span> 772 <span class="s">}</span> 773 <span class="k">else</span> <span class="s">{</span> 774 <span class="c"># Make sure default fingerprints field does exist...</span> 775 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldFound</span><span class="cm">,</span> <span class="i">$DataFieldLabel</span><span class="s">)</span><span class="sc">;</span> 776 <span class="i">$FingerprintsFieldFound</span> = <span class="n">0</span><span class="sc">;</span> 777 778 <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> 779 <span class="k">if</span> <span class="s">(</span><span class="i">$DataFieldLabel</span> =~ <span class="q">/Fingerprints/i</span><span class="s">)</span> <span class="s">{</span> 780 <span class="i">$FingerprintsFieldFound</span> = <span class="n">1</span><span class="sc">;</span> 781 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$DataFieldLabel</span><span class="sc">;</span> 782 <span class="k">last</span> <span class="j">DATAFIELDLABEL</span><span class="sc">;</span> 783 <span class="s">}</span> 784 <span class="s">}</span> 785 <span class="k">if</span> <span class="s">(</span>!<span class="i">$FingerprintsFieldFound</span><span class="s">)</span> <span class="s">{</span> 786 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsField: Data field label containing \"Fingerprints\" string in its name doesn't exist..."</span><span class="sc">;</span> 787 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 788 <span class="s">}</span> 789 <span class="s">}</span> 790 791 <span class="i">$This</span>->{<span class="w">ValidFingerprintsField</span>} = <span class="n">1</span><span class="sc">;</span> 792 <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>} = <span class="i">$FingerprintsFieldLabel</span><span class="sc">;</span> 793 794 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> 795 <span class="s">}</span> 796 797 <span class="c"># Validate fingerprints string mode information...</span> 798 <span class="c">#</span> <a name="_ValidateReadFingerprintsStringMode-"></a> 799 <span class="k">sub </span><span class="m">_ValidateReadFingerprintsStringMode</span> <span class="s">{</span> 800 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 801 <span class="k">my</span><span class="s">(</span><span class="i">$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> 802 803 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 804 805 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 806 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 807 808 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="q">''</span><span class="sc">;</span> 809 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="q">''</span><span class="sc">;</span> 810 811 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span> 812 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">0</span><span class="sc">;</span> 813 814 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">''</span><span class="sc">;</span> 815 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="q">''</span><span class="sc">;</span> 816 817 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> 818 819 <span class="s">(</span><span class="i">$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">$FingerprintsFieldLabel</span>}<span class="s">)</span><span class="sc">;</span> 820 821 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsBitVectorString$/i</span><span class="s">)</span> <span class="s">{</span> 822 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span> 823 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsBitVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span> 824 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 825 <span class="s">}</span> 826 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> 827 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsBitVector'</span><span class="sc">;</span> 828 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> 829 <span class="s">}</span> 830 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span> 831 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> !~ <span class="q">/^FingerprintsVector$/i</span><span class="s">)</span> <span class="s">{</span> 832 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, doesn't match value, FingerprintsVectorString, specified using \"FingerprintsStringMode\"..."</span><span class="sc">;</span> 833 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 834 <span class="s">}</span> 835 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> 836 <span class="i">$FirstFingerprintsStringType</span> = <span class="q">'FingerprintsVector'</span><span class="sc">;</span> 837 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> 838 <span class="s">}</span> 839 <span class="k">else</span> <span class="s">{</span> 840 <span class="c"># AutoDetect mode...</span> 841 <span class="k">if</span> <span class="s">(</span><span class="i">$FingerprintsType</span> =~ <span class="q">/^FingerprintsBitVector$/i</span><span class="s">)</span> <span class="s">{</span> 842 <span class="i">$FingerprintsBitVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> 843 <span class="s">}</span> 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> 845 <span class="i">$FingerprintsVectorStringMode</span> = <span class="n">1</span><span class="sc">;</span> 846 <span class="s">}</span> 847 <span class="k">else</span> <span class="s">{</span> 848 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_ValidateReadFingerprintsStringMode: First fingerprint string data type, $FingerprintsType, identified during, AutoDetect, value of \"FingerprintsStringMode\" is not valid; Supported fingerprints types: FingerprintBitVector or FingerprintsVector..."</span><span class="sc">;</span> 849 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 850 <span class="s">}</span> 851 <span class="i">$FirstFingerprintsStringType</span> = <span class="i">$FingerprintsType</span><span class="sc">;</span> 852 <span class="i">$FirstFingerprintsStringDescription</span> = <span class="i">$FingerprintsDescription</span><span class="sc">;</span> 853 <span class="s">}</span> 854 855 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">1</span><span class="sc">;</span> 856 857 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="i">$FingerprintsBitVectorStringMode</span><span class="sc">;</span> 858 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="i">$FingerprintsVectorStringMode</span><span class="sc">;</span> 859 860 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringType</span>} = <span class="i">$FirstFingerprintsStringType</span><span class="sc">;</span> 861 <span class="i">$This</span>->{<span class="w">FirstFingerprintsStringDescription</span>} = <span class="i">$FirstFingerprintsStringDescription</span><span class="sc">;</span> 862 863 <span class="k">return</span> <span class="n">1</span><span class="sc">;</span> 864 <span class="s">}</span> 865 866 <span class="c"># Write fingerprints string generated from specified fingerprints, fingerprints-bit vector, or</span> 867 <span class="c"># fingerprints vector object and other data to SD file...</span> 868 <span class="c">#</span> <a name="WriteFingerprints-"></a> 869 <span class="k">sub </span><span class="m">WriteFingerprints</span> <span class="s">{</span> 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">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 871 872 <span class="c"># Initialize data for current compound...</span> 873 <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 874 875 <span class="c"># Set fingerprints object...</span> 876 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">$FingerprintsObject</span><span class="sc">;</span> 877 878 <span class="c"># Generate fingerprints string...</span> 879 <span class="i">$This</span><span class="i">->_GenerateFingerprintsString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 880 881 <span class="c"># Set and update compound string...</span> 882 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> 883 <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 884 885 <span class="c"># Write it out...</span> 886 <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 887 888 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 889 <span class="s">}</span> 890 891 <span class="c"># Write fingerprints string and other data to SD file...</span> 892 <span class="c">#</span> 893 <span class="c"># Note:</span> 894 <span class="c"># o FingerprintsStringMode, BitStringFormat, BitsOrder, VectorStringFormat values</span> 895 <span class="c"># are ignored during writing of fingerprints and it's written to the file as it is.</span> 896 <span class="c"># o CompoundString contains no fingerprints data</span> 897 <span class="c">#</span> <a name="WriteFingerprintsString-"></a> 898 <span class="k">sub </span><span class="m">WriteFingerprintsString</span> <span class="s">{</span> 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">$CompoundString</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 900 901 <span class="c"># Initialize data for current compound...</span> 902 <span class="i">$This</span><span class="i">->_InitializeWriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 903 904 <span class="c"># Set fingerprints string...</span> 905 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="i">$FingerprintsString</span><span class="sc">;</span> 906 907 <span class="c"># Generate fingerprints object...</span> 908 <span class="i">$This</span><span class="i">->_GenerateFingerprintsObject</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 909 910 <span class="c"># Set and update compound string...</span> 911 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="i">$CompoundString</span><span class="sc">;</span> 912 <span class="i">$This</span><span class="i">->_AddFingerprintsDataToCompoundString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 913 914 <span class="c"># Write it out...</span> 915 <span class="i">$This</span><span class="i">->_WriteCompoundDataString</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 916 917 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 918 <span class="s">}</span> 919 920 <span class="c"># Initialize compound data string for writing...</span> 921 <span class="c">#</span> <a name="_InitializeWriteCompoundDataString-"></a> 922 <span class="k">sub </span><span class="m">_InitializeWriteCompoundDataString</span> <span class="s">{</span> 923 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 924 925 <span class="i">$This</span>->{<span class="w">CompoundString</span>} = <span class="k">undef</span><span class="sc">;</span> 926 927 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> 928 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="k">undef</span><span class="sc">;</span> 929 930 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 931 <span class="s">}</span> 932 933 <span class="c"># Writi compound data string...</span> 934 <span class="c">#</span> <a name="_WriteCompoundDataString-"></a> 935 <span class="k">sub </span><span class="m">_WriteCompoundDataString</span> <span class="s">{</span> 936 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 937 <span class="k">my</span><span class="s">(</span><span class="i">$FileHandle</span><span class="s">)</span><span class="sc">;</span> 938 939 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>}<span class="s">)</span> <span class="s">{</span> 940 <span class="i">$This</span><span class="i">->_ProcessFirstCompoundDataStringWrite</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 941 <span class="s">}</span> 942 943 <span class="i">$This</span>->{<span class="w">CompoundNum</span>} += <span class="n">1</span><span class="sc">;</span> 944 <span class="i">$FileHandle</span> = <span class="i">$This</span>->{<span class="w">FileHandle</span>}<span class="sc">;</span> 945 946 <span class="k">print</span> <span class="i">$FileHandle</span> <span class="q">"$This->{CompoundString}\n"</span><span class="sc">;</span> 947 948 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 949 <span class="s">}</span> 950 951 <span class="c"># Process first compound data string write...</span> 952 <span class="c">#</span> <a name="_ProcessFirstCompoundDataStringWrite-"></a> 953 <span class="k">sub </span><span class="m">_ProcessFirstCompoundDataStringWrite</span> <span class="s">{</span> 954 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 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> 956 957 <span class="i">$This</span>->{<span class="w">FirstCompoundDataIO</span>} = <span class="n">0</span><span class="sc">;</span> 958 959 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 960 <span class="s">}</span> 961 962 <span class="c"># Get ready for writing fingerprints SD file...</span> 963 <span class="c">#</span> <a name="_PrepareForWritingFingerprintsSDFileData-"></a> 964 <span class="k">sub </span><span class="m">_PrepareForWritingFingerprintsSDFileData</span> <span class="s">{</span> 965 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 966 <span class="k">my</span><span class="s">(</span><span class="i">$SDFile</span><span class="s">)</span><span class="sc">;</span> 967 968 <span class="i">$SDFile</span> = <span class="i">$This</span>->{<span class="w">Name</span>}<span class="sc">;</span> 969 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">Overwrite</span>}<span class="s">)</span> <span class="s">{</span> 970 <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="i">$SDFile</span><span class="s">)</span> <span class="s">{</span> 971 <span class="w">croak</span> <span class="q">"Error: ${ClassName}->New: Object can't be instantiated: File, $SDFile, already exist. Use overwrite option..."</span><span class="sc">;</span> 972 <span class="s">}</span> 973 <span class="s">}</span> 974 975 <span class="c"># Setup FingerprintsStringMode status...</span> 976 977 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 978 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 979 <span class="i">$This</span>->{<span class="w">ValidFingerprintsStringMode</span>} = <span class="n">0</span><span class="sc">;</span> 980 981 <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> 982 <span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span> 983 <span class="s">}</span> 984 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsStringMode</span>} =~ <span class="q">/^FingerprintsVectorString$/i</span><span class="s">)</span> <span class="s">{</span> 985 <span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>} = <span class="n">1</span><span class="sc">;</span> 986 <span class="s">}</span> 987 988 <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">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 989 990 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 991 <span class="i">$This</span><span class="i">->_SetDefaultBitStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 992 <span class="i">$This</span><span class="i">->_SetDefaultBitsOrder</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 993 <span class="s">}</span> 994 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 995 <span class="i">$This</span><span class="i">->_SetDefaultVectorStringFormat</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span> 996 <span class="s">}</span> 997 998 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 999 <span class="s">}</span> 1000 1001 <span class="c"># Set default value for bit string format...</span> 1002 <span class="c">#</span> <a name="_SetDefaultBitStringFormat-"></a>1003 <span class="k">sub </span><span class="m">_SetDefaultBitStringFormat</span> <span class="s">{</span> 1004 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1005 1006 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitStringFormat</span>}<span class="s">)</span> <span class="s">{</span> 1007 <span class="i">$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> 1008 <span class="s">}</span> 1009 1010 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1011 <span class="s">}</span> 1012 1013 <span class="c"># Set default value for bit string format...</span> 1014 <span class="c">#</span> <a name="_SetDefaultBitsOrder-"></a>1015 <span class="k">sub </span><span class="m">_SetDefaultBitsOrder</span> <span class="s">{</span> 1016 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1017 1018 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span> <span class="s">{</span> 1019 <span class="i">$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> 1020 <span class="s">}</span> 1021 1022 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1023 <span class="s">}</span> 1024 1025 <span class="c"># Set default value for vector string format...</span> 1026 <span class="c">#</span> <a name="_SetDefaultVectorStringFormat-"></a>1027 <span class="k">sub </span><span class="m">_SetDefaultVectorStringFormat</span> <span class="s">{</span> 1028 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1029 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> 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> 1032 <span class="s">}</span> 1033 1034 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1035 <span class="s">}</span> 1036 1037 <span class="c"># Add fingerprints data to compound string...</span> 1038 <span class="c">#</span> <a name="_AddFingerprintsDataToCompoundString-"></a>1039 <span class="k">sub </span><span class="m">_AddFingerprintsDataToCompoundString</span> <span class="s">{</span> 1040 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1041 <span class="k">my</span><span class="s">(</span><span class="i">$CmpdString</span><span class="s">)</span><span class="sc">;</span> 1042 1043 <span class="c"># Check and remove existing fingerprints data...</span> 1044 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span><span class="i">->_IsFingerprintsDataPresentInCompoundString</span><span class="s">(</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1045 <span class="w">carp</span> <span class="q">"Warning: ${ClassName}->_AddFingerprintsDataToCompoundString: The compound string already contains fingerprints data corresponding to fingerprints field label $This->{FingerprintsFieldLabel}; It has been replaced with new fingerprints data..."</span><span class="sc">;</span> 1046 <span class="i">$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> 1047 <span class="s">}</span> 1048 1049 <span class="i">$CmpdString</span> = <span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="sc">;</span> 1050 1051 <span class="i">$CmpdString</span> =~ <span class="q">s/\$\$\$\$$//</span><span class="sc">;</span> 1052 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> 1054 1055 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1056 <span class="s">}</span> 1057 1058 <span class="c"># Is fingerprints data already present in compound string?</span> 1059 <span class="c">#</span> <a name="_IsFingerprintsDataPresentInCompoundString-"></a>1060 <span class="k">sub </span><span class="m">_IsFingerprintsDataPresentInCompoundString</span> <span class="s">{</span> 1061 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1062 <span class="k">my</span><span class="s">(</span><span class="i">$FingerprintsFieldLabel</span><span class="s">)</span><span class="sc">;</span> 1063 1064 <span class="k">if</span> <span class="s">(</span><span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>}<span class="s">)</span> || <span class="i">TextUtil::IsEmpty</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span> 1065 <span class="k">return</span> <span class="n">0</span><span class="sc">;</span> 1066 <span class="s">}</span> 1067 1068 <span class="i">$FingerprintsFieldLabel</span> = <span class="i">$This</span>->{<span class="w">FingerprintsFieldLabel</span>}<span class="sc">;</span> 1069 1070 <span class="k">return</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">CompoundString</span>} =~ <span class="q">/<$FingerprintsFieldLabel>/</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span> 1071 <span class="s">}</span> 1072 1073 <span class="c"># Generate fingerprints object using current fingerprints string...</span> 1074 <span class="c">#</span> <a name="_GenerateFingerprintsObject-"></a>1075 <span class="k">sub </span><span class="m">_GenerateFingerprintsObject</span> <span class="s">{</span> 1076 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1077 1078 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="k">undef</span><span class="sc">;</span> 1079 1080 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span> <span class="s">{</span> 1081 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1082 <span class="s">}</span> 1083 1084 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 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> 1086 <span class="s">}</span> 1087 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 1088 <span class="i">$This</span>->{<span class="w">FingerprintsObject</span>} = <span class="i">Fingerprints::FingerprintsStringUtil::ParseFingerprintsVectorString</span><span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsString</span>}<span class="s">)</span><span class="sc">;</span> 1089 <span class="s">}</span> 1090 <span class="k">else</span> <span class="s">{</span> 1091 <span class="k">return</span> <span class="k">undef</span><span class="sc">;</span> 1092 <span class="s">}</span> 1093 1094 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1095 <span class="s">}</span> 1096 1097 <span class="c"># Generate fingerprints string using current fingerprints object...</span> 1098 <span class="c">#</span> <a name="_GenerateFingerprintsString-"></a>1099 <span class="k">sub </span><span class="m">_GenerateFingerprintsString</span> <span class="s">{</span> 1100 <span class="k">my</span><span class="s">(</span><span class="i">$This</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1101 1102 <span class="i">$This</span>->{<span class="w">FingerprintsString</span>} = <span class="q">''</span><span class="sc">;</span> 1103 1104 <span class="k">if</span> <span class="s">(</span>!<span class="i">$This</span>->{<span class="w">FingerprintsObject</span>}<span class="s">)</span> <span class="s">{</span> 1105 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1106 <span class="s">}</span> 1107 1108 <span class="k">if</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsBitVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 1109 <span class="i">$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">$This</span>->{<span class="w">BitsOrder</span>}<span class="s">)</span><span class="sc">;</span> 1110 <span class="s">}</span> 1111 <span class="k">elsif</span> <span class="s">(</span><span class="i">$This</span>->{<span class="w">FingerprintsVectorStringMode</span>}<span class="s">)</span> <span class="s">{</span> 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">$This</span>->{<span class="w">VectorStringFormat</span>}<span class="s">)</span><span class="sc">;</span> 1113 <span class="s">}</span> 1114 1115 <span class="k">return</span> <span class="i">$This</span><span class="sc">;</span> 1116 <span class="s">}</span> 1117 1118 <span class="c"># Is it a fingerprints file?</span> <a name="IsFingerprintsSDFile-"></a>1119 <span class="k">sub </span><span class="m">IsFingerprintsSDFile ($;$)</span> <span class="s">{</span> 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> 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">$Status</span><span class="s">)</span><span class="sc">;</span> 1122 1123 <span class="k">if</span> <span class="s">(</span><span class="s">(</span><span class="i">@_</span> == <span class="n">2</span><span class="s">)</span> && <span class="s">(</span><span class="i">_IsFingerprintsSDFileIO</span><span class="s">(</span><span class="i">$FirstParameter</span><span class="s">)</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span> 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> 1125 <span class="s">}</span> 1126 <span class="k">else</span> <span class="s">{</span> 1127 <span class="i">$FileName</span> = <span class="i">$FirstParameter</span><span class="sc">;</span> 1128 <span class="s">}</span> 1129 1130 <span class="c"># Check file extension...</span> 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> 1132 1133 <span class="k">return</span> <span class="i">$Status</span><span class="sc">;</span> 1134 <span class="s">}</span> 1135 1136 <span class="c"># Is it a FingerprintsSDFileIO object?</span> <a name="_IsFingerprintsSDFileIO-"></a>1137 <span class="k">sub </span><span class="m">_IsFingerprintsSDFileIO</span> <span class="s">{</span> 1138 <span class="k">my</span><span class="s">(</span><span class="i">$Object</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span> 1139 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> 1141 <span class="s">}</span> 1142 <a name="EOF-"></a></pre> <p> </p> <br /> <center> <img src="../../../images/h2o2.png"> </center> </body> </html>