comparison mayachemtools/docs/modules/man3/CyclesDetection.3 @ 0:73ae111cf86f draft

Uploaded
author deepakjadmin
date Wed, 20 Jan 2016 11:55:01 -0500
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:73ae111cf86f
1 .\" Automatically generated by Pod::Man 2.25 (Pod::Simple 3.22)
2 .\"
3 .\" Standard preamble:
4 .\" ========================================================================
5 .de Sp \" Vertical space (when we can't use .PP)
6 .if t .sp .5v
7 .if n .sp
8 ..
9 .de Vb \" Begin verbatim text
10 .ft CW
11 .nf
12 .ne \\$1
13 ..
14 .de Ve \" End verbatim text
15 .ft R
16 .fi
17 ..
18 .\" Set up some character translations and predefined strings. \*(-- will
19 .\" give an unbreakable dash, \*(PI will give pi, \*(L" will give a left
20 .\" double quote, and \*(R" will give a right double quote. \*(C+ will
21 .\" give a nicer C++. Capital omega is used to do unbreakable dashes and
22 .\" therefore won't be available. \*(C` and \*(C' expand to `' in nroff,
23 .\" nothing in troff, for use with C<>.
24 .tr \(*W-
25 .ds C+ C\v'-.1v'\h'-1p'\s-2+\h'-1p'+\s0\v'.1v'\h'-1p'
26 .ie n \{\
27 . ds -- \(*W-
28 . ds PI pi
29 . if (\n(.H=4u)&(1m=24u) .ds -- \(*W\h'-12u'\(*W\h'-12u'-\" diablo 10 pitch
30 . if (\n(.H=4u)&(1m=20u) .ds -- \(*W\h'-12u'\(*W\h'-8u'-\" diablo 12 pitch
31 . ds L" ""
32 . ds R" ""
33 . ds C` ""
34 . ds C' ""
35 'br\}
36 .el\{\
37 . ds -- \|\(em\|
38 . ds PI \(*p
39 . ds L" ``
40 . ds R" ''
41 'br\}
42 .\"
43 .\" Escape single quotes in literal strings from groff's Unicode transform.
44 .ie \n(.g .ds Aq \(aq
45 .el .ds Aq '
46 .\"
47 .\" If the F register is turned on, we'll generate index entries on stderr for
48 .\" titles (.TH), headers (.SH), subsections (.SS), items (.Ip), and index
49 .\" entries marked with X<> in POD. Of course, you'll have to process the
50 .\" output yourself in some meaningful fashion.
51 .ie \nF \{\
52 . de IX
53 . tm Index:\\$1\t\\n%\t"\\$2"
54 ..
55 . nr % 0
56 . rr F
57 .\}
58 .el \{\
59 . de IX
60 ..
61 .\}
62 .\"
63 .\" Accent mark definitions (@(#)ms.acc 1.5 88/02/08 SMI; from UCB 4.2).
64 .\" Fear. Run. Save yourself. No user-serviceable parts.
65 . \" fudge factors for nroff and troff
66 .if n \{\
67 . ds #H 0
68 . ds #V .8m
69 . ds #F .3m
70 . ds #[ \f1
71 . ds #] \fP
72 .\}
73 .if t \{\
74 . ds #H ((1u-(\\\\n(.fu%2u))*.13m)
75 . ds #V .6m
76 . ds #F 0
77 . ds #[ \&
78 . ds #] \&
79 .\}
80 . \" simple accents for nroff and troff
81 .if n \{\
82 . ds ' \&
83 . ds ` \&
84 . ds ^ \&
85 . ds , \&
86 . ds ~ ~
87 . ds /
88 .\}
89 .if t \{\
90 . ds ' \\k:\h'-(\\n(.wu*8/10-\*(#H)'\'\h"|\\n:u"
91 . ds ` \\k:\h'-(\\n(.wu*8/10-\*(#H)'\`\h'|\\n:u'
92 . ds ^ \\k:\h'-(\\n(.wu*10/11-\*(#H)'^\h'|\\n:u'
93 . ds , \\k:\h'-(\\n(.wu*8/10)',\h'|\\n:u'
94 . ds ~ \\k:\h'-(\\n(.wu-\*(#H-.1m)'~\h'|\\n:u'
95 . ds / \\k:\h'-(\\n(.wu*8/10-\*(#H)'\z\(sl\h'|\\n:u'
96 .\}
97 . \" troff and (daisy-wheel) nroff accents
98 .ds : \\k:\h'-(\\n(.wu*8/10-\*(#H+.1m+\*(#F)'\v'-\*(#V'\z.\h'.2m+\*(#F'.\h'|\\n:u'\v'\*(#V'
99 .ds 8 \h'\*(#H'\(*b\h'-\*(#H'
100 .ds o \\k:\h'-(\\n(.wu+\w'\(de'u-\*(#H)/2u'\v'-.3n'\*(#[\z\(de\v'.3n'\h'|\\n:u'\*(#]
101 .ds d- \h'\*(#H'\(pd\h'-\w'~'u'\v'-.25m'\f2\(hy\fP\v'.25m'\h'-\*(#H'
102 .ds D- D\\k:\h'-\w'D'u'\v'-.11m'\z\(hy\v'.11m'\h'|\\n:u'
103 .ds th \*(#[\v'.3m'\s+1I\s-1\v'-.3m'\h'-(\w'I'u*2/3)'\s-1o\s+1\*(#]
104 .ds Th \*(#[\s+2I\s-2\h'-\w'I'u*3/5'\v'-.3m'o\v'.3m'\*(#]
105 .ds ae a\h'-(\w'a'u*4/10)'e
106 .ds Ae A\h'-(\w'A'u*4/10)'E
107 . \" corrections for vroff
108 .if v .ds ~ \\k:\h'-(\\n(.wu*9/10-\*(#H)'\s-2\u~\d\s+2\h'|\\n:u'
109 .if v .ds ^ \\k:\h'-(\\n(.wu*10/11-\*(#H)'\v'-.4m'^\v'.4m'\h'|\\n:u'
110 . \" for low resolution devices (crt and lpr)
111 .if \n(.H>23 .if \n(.V>19 \
112 \{\
113 . ds : e
114 . ds 8 ss
115 . ds o a
116 . ds d- d\h'-1'\(ga
117 . ds D- D\h'-1'\(hy
118 . ds th \o'bp'
119 . ds Th \o'LP'
120 . ds ae ae
121 . ds Ae AE
122 .\}
123 .rm #[ #] #H #V #F C
124 .\" ========================================================================
125 .\"
126 .IX Title "CYCLESDETECTION 1"
127 .TH CYCLESDETECTION 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
129 .\" way too many mistakes in technical documents.
130 .if n .ad l
131 .nh
132 .SH "NAME"
133 CyclesDetection
134 .SH "SYNOPSIS"
135 .IX Header "SYNOPSIS"
136 use Graph::CyclesDetection;
137 .PP
138 use Graph::CyclesDetection qw(:all);
139 .SH "DESCRIPTION"
140 .IX Header "DESCRIPTION"
141 \&\fBCyclesDetection\fR class provides the following methods:
142 .PP
143 new, Copy, DetectCycles, DetectCyclesUsingCollapsingPathGraphMethodology,
144 GetAllCyclicPaths, GetIndependentCyclicPaths, StringifyCyclesDetection
145 .PP
146 Cycles in a \fBGraph\fR are detected using collapsing path graph [Ref 31]
147 methodology.
148 .SS "\s-1METHODS\s0"
149 .IX Subsection "METHODS"
150 .IP "\fBnew\fR" 4
151 .IX Item "new"
152 .Vb 1
153 \& $NewCyclesDetection = new Graph::CyclesDetection($Graph);
154 .Ve
155 .Sp
156 Using specified \fIGraph\fR, \fBnew\fR method creates a new \fBCyclesDetection\fR object and returns
157 newly created \fBCyclesDetection\fR object.
158 .IP "\fBCopy\fR" 4
159 .IX Item "Copy"
160 .Vb 1
161 \& $NewCyclesDetection = $CyclesDetection\->Copy();
162 .Ve
163 .Sp
164 Copies \fICyclesDetection\fR and its associated data using \fBStorable::dclone\fR and returns a new
165 \&\fBCyclesDetection\fR object.
166 .IP "\fBDetectCycles\fR" 4
167 .IX Item "DetectCycles"
168 .Vb 1
169 \& $CyclesDetection\->DetectCycles();
170 .Ve
171 .Sp
172 Detects all cycles in a graph and returns \fICyclesDetection\fR.
173 .IP "\fBDetectCyclesUsingCollapsingPathGraphMethodology\fR" 4
174 .IX Item "DetectCyclesUsingCollapsingPathGraphMethodology"
175 .Vb 1
176 \& $CyclesDetection\->DetectCyclesUsingCollapsingPathGraphMethodology();
177 .Ve
178 .Sp
179 Detects all cycles in a graph using collapsing path graph [Ref 31] methodology
180 and returns \fICyclesDetection\fR.
181 .IP "\fBGetAllCyclicPaths\fR" 4
182 .IX Item "GetAllCyclicPaths"
183 .Vb 2
184 \& @AllCyclicPaths = $CyclesDetection\->GetAllCyclicPaths();
185 \& $NumOfAllCyclicPaths = $CyclesDetection\->GetAllCyclicPaths();
186 .Ve
187 .Sp
188 Returns an array containing references to all cyclic paths identified during cycles
189 detection. In scalar text, number of cycles is returned.
190 .IP "\fBGetIndependentCyclicPaths\fR" 4
191 .IX Item "GetIndependentCyclicPaths"
192 .Vb 2
193 \& @IndependentCyclicPaths = $CyclesDetection\->GetAllCyclicPaths();
194 \& $NumOfIndependentCyclicPaths = $CyclesDetection\->GetAllCyclicPaths();
195 .Ve
196 .Sp
197 Returns an array containing references to independent cyclic paths identified during cycles
198 detection. In scalar text, number of cycles is returned.
199 .Sp
200 A set of independent cycles identified during cycles detection doesn't correspond to the basis set of
201 rings or smallest set of smallest rings (\s-1SSSR\s0) [ Refs 29\-30 ]; instead, set of cycles indentified
202 as independent cycles simply correpond to cycles which contain no other cycle as their
203 subcycles and can't be described as a linear combination of smaller cycles. And it also happens
204 to contain all the rings in basis set of rings and \s-1SSSR\s0. In other words, it's a superset of a basis set
205 of cycles and \s-1SSSR\s0. For example, six four membered cycles are indentified for cubane, which is one
206 more than the basis set of cycles.
207 .IP "\fBStringifyCyclesDetection\fR" 4
208 .IX Item "StringifyCyclesDetection"
209 .Vb 1
210 \& $String = $CyclesDetection\->StringifyCyclesDetection();
211 .Ve
212 .Sp
213 Returns a string containing information about \fICyclesDetection\fR object.
214 .SH "AUTHOR"
215 .IX Header "AUTHOR"
216 Manish Sud <msud@san.rr.com>
217 .SH "SEE ALSO"
218 .IX Header "SEE ALSO"
219 Graph.pm, Path.pm, PathGraph.pm
220 .SH "COPYRIGHT"
221 .IX Header "COPYRIGHT"
222 Copyright (C) 2015 Manish Sud. All rights reserved.
223 .PP
224 This file is part of MayaChemTools.
225 .PP
226 MayaChemTools is free software; you can redistribute it and/or modify it under
227 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
228 Software Foundation; either version 3 of the License, or (at your option)
229 any later version.