source: src/Parser/FormatParser_common.cpp@ 7d1b6a

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Last change on this file since 7d1b6a was c0e28c, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: One could not load another pdb file due to local ids messing up.

  • We enhanced FormatParser_common now contains two maps to go from local to global and back again. Thi is necessary, as ids in a file only make sense within that file. We added the following functions: resetIdAssociations(), associateLocaltoGlobalId(), getGlobalId(), getLocalId().
  • adapted TremoloParser and PdbParser because they are the only formats that also contain bond information and where the associations are needed to translate the local connections into global ones.
  • removed SerialSet entirely from PdbParser, is replaced by new construct, in similar manner AtomIdMap for TremoloParser.
  • TEST: Added regression tests for all Parser to check for loading twice the same file.
  • Property mode set to 100644
File size: 4.2 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[bcf653]5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
[ab4b55]8/*
[765f16]9 * FormatParser_common_common.cpp
[ab4b55]10 *
11 * Created on: Mar 1, 2010
12 * Author: metzler
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[ad011c]20#include "CodePatterns/MemDebug.hpp"
[112b09]21
[9131f3]22#include <iostream>
[ab4b55]23
[02ce36]24#include "CodePatterns/Observer/Notification.hpp"
[765f16]25#include "World.hpp"
26#include "ChangeTracker.hpp"
27#include "FormatParser_common.hpp"
28
[ab4b55]29using namespace std;
30
31/**
32 * Constructor.
33 */
[765f16]34FormatParser_common::FormatParser_common(FormatParser_Parameters *_parameters) :
[091838]35 Observer("FormatParser_common"),
36 saveStream(NULL)
[cd5047]37{
[765f16]38 parameters = _parameters;
[2f40c0e]39 ChangeTracker::getInstance().signOn(this);
[02ce36]40 World::getInstance().signOn(this, World::AtomInserted);
41 World::getInstance().signOn(this, World::AtomRemoved);
[ab4b55]42}
43
44/**
45 * Destructor.
46 */
[765f16]47FormatParser_common::~FormatParser_common()
48{
[2f40c0e]49 ChangeTracker::getInstance().signOff(this);
[02ce36]50 World::getInstance().signOff(this, World::AtomInserted);
51 World::getInstance().signOff(this, World::AtomRemoved);
[765f16]52 if (parameters != NULL)
53 delete parameters;
[c0e28c]54 // clear id translation maps
55 LocaltoGobalIdMap.clear();
56 GlobaltoLocalIdMap.clear();
[ab4b55]57}
58
59/**
60 * Update operation which can be invoked by the observable (which should be the
61 * change tracker here).
62 */
[765f16]63void FormatParser_common::update(Observable *publisher) {
[091838]64 if (saveStream != NULL) { // only store when a saveStream is given
65 std::vector<atom *> atoms = World::getInstance().getAllAtoms();
66 save(saveStream, atoms);
[ab4b55]67 }
68}
69
[38f991]70/**
71 * With this, each format parser is informed about specific changes in the World.
72 */
[765f16]73void FormatParser_common::recieveNotification(Observable *publisher, Notification_ptr notification) {
[38f991]74 switch (notification->getChannelNo()) {
75 case World::AtomInserted:
76 AtomInserted(World::getInstance().lastChanged<atom>()->getId());
77 break;
78 case World::AtomRemoved:
79 AtomRemoved(World::getInstance().lastChanged<atom>()->getId());
80 break;
81 default:
82 ASSERT(0,
[765f16]83 "FormatParser_common::recieveNotification() - unknown notification "
[38f991]84 +toString(notification->getChannelNo())+" received.");
85 break;
86 }
87}
88
[ab4b55]89/**
90 * The observable can tell when it dies.
91 */
[765f16]92void FormatParser_common::subjectKilled(Observable *publisher) {}
[ab4b55]93
94/**
95 * Sets the output stream for save, so the save() method can be invoked on update
96 * automatically.
97 *
98 * \param ostream where to save the World's state
99 */
[c0e28c]100void FormatParser_common::setOstream(ostream* output)
101{
[ab4b55]102 saveStream = output;
103}
[c0e28c]104
105/** Function to be called when beginning to parse a new file.
106 *
107 * Resets internal translation maps.
108 *
109 */
110void FormatParser_common::resetIdAssociations()
111{
112 LocaltoGobalIdMap.clear();
113 GlobaltoLocalIdMap.clear();
114}
115
116/** Installs an association between a local id from a parsed file and the
117 * global, unique one.
118 *
119 * @param local local atom id
120 * @param global global atom id
121 */
122void FormatParser_common::associateLocaltoGlobalId(const int local, const int global)
123{
124 ASSERT(LocaltoGobalIdMap.count(local) == 0,
125 "FormatParser_common::associateLocaltoGlobalId() - local id "
126 +toString(local)+" is already contained.");
127 ASSERT(GlobaltoLocalIdMap.count(global) == 0,
128 "FormatParser_common::associateLocaltoGlobalId() - global id "
129 +toString(global)+" is already contained.");
130 LocaltoGobalIdMap[local] = global;
131 GlobaltoLocalIdMap[global] = local;
132}
133
134/** Getter for the global id to a given \a local one.
135 *
136 * @param local local atom id
137 * @return global atom id, -1 if unknown
138 */
139int FormatParser_common::getGlobalId(const int local) const
140{
141 IdtoIdMap::const_iterator iter = LocaltoGobalIdMap.find(local);
142 if(iter == LocaltoGobalIdMap.end())
143 return -1;
144 return iter->second;
145}
146
147/** Getter for the local id to a given \a global one.
148 *
149 * @param global global atom id
150 * @return local atom id, -1 if unknown
151 */
152int FormatParser_common::getLocalId(const int global) const
153{
154 IdtoIdMap::const_iterator iter = GlobaltoLocalIdMap.find(global);
155 if(iter == GlobaltoLocalIdMap.end())
156 return -1;
157 return iter->second;
158}
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