source: src/Graph/Graph6Reader.cpp@ f5ea10

Candidate_v1.6.1 ChemicalSpaceEvaluator
Last change on this file since f5ea10 was f5ea10, checked in by Frederik Heber <frederik.heber@…>, 7 years ago

Added Graph6Reader, extended BoostGraphCreator, added ChemicalSpaceEvaluatorAction.

  • added visible generateAllInducedSubgraphs to Extractors.
  • TESTS: due to new option "graph6" containing a digit we needed to modify moltest_check.py to also scan for digits and not just letters.
  • DOCU: Added evaluate-chemical-space to userguide.
  • Property mode set to 100644
File size: 2.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2017 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * Graph6Reader.cpp
25 *
26 * Created on: Sep 26, 2017
27 * Author: heber
28 */
29
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36//#include "CodePatterns/MemDebug.hpp"
37
38#include <iterator>
39
40#include "CodePatterns/Assert.hpp"
41
42#include "Graph6Reader.hpp"
43
44const int Graph6Reader::packet_size(5);
45
46void Graph6Reader::operator()(std::istream &_graph_string)
47{
48 std::istream_iterator<unsigned char> iter(_graph_string);
49 scan_num_nodes(iter);
50 scan_edges(iter);
51}
52
53void Graph6Reader::scan_num_nodes(std::istream_iterator<unsigned char> &_it)
54{
55 int packets;
56 int num_nodes;
57 //now we're one past the optional header
58 //parse the number of nodes
59 ASSERT(*_it >= 63, "The number of nodes is not properly encoded");
60 if (*_it <126) {
61 //6-bit encoding
62 num_nodes = *_it-63;
63 } else if (*_it++ == 126) {
64 unsigned int packets = 3;
65 if (*_it == 126) {
66 //36-bit encoding
67 packets++;
68 _it++;
69 }
70 for(unsigned int i =0; i<packets*packet_size; ++i) {
71 unsigned char packet = (*_it++) - 63;
72 ASSERT(packet<=(1<<(packet_size+1)),
73 "The input is malformed. "
74 "It contains a non-printable ascii-char in the number of nodes encoding.");
75 num_nodes += packet;
76 num_nodes *= (1<<packet_size);
77 }
78 } else {
79 ASSERT(*_it<=126,
80 "The input is malformed. "
81 "The number of nodes is not correctly encoded, the first byte is >126."
82 );
83 }
84 ++_it;
85}
86
87void Graph6Reader::next_edge(std::istream_iterator<unsigned char> &_it) {
88 unsigned int bit = 0;
89 while(!bit && !eos) {
90 if (++row==column) {
91 column+=1;
92 row = 0;
93 }
94 if (column>=num_nodes) {
95 eos = true;
96 break;
97 }
98 if (bit_pos<0) {
99 ASSERT((*_it >= 63) && (*_it <= 126),
100 "The input contains a non-printable ascii char in the matrix encoding");
101 cur_byte = (*_it) - 63;
102 ++(_it);
103
104 bit_pos = packet_size;
105 }
106 bit = cur_byte & (1<<(bit_pos--));
107 }
108}
109
110void Graph6Reader::scan_edges(std::istream_iterator<unsigned char> &_it)
111{
112 while(!eos) {
113 next_edge(_it);
114 edges.push_back(std::make_pair(column,row));
115 }
116}
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