source: src/Parser/FormatParser_common.hpp@ ff4fff9

CombiningParticlePotentialParsing
Last change on this file since ff4fff9 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: 2.0 KB
Line 
1/*
2 * FormatParser_common_common.hpp
3 *
4 * Created on: Mar 1, 2010
5 * Author: metzler
6 */
7
8#ifndef FORMATPARSER_COMMON_HPP_
9#define FORMATPARSER_COMMON_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <iosfwd>
17#include <map>
18
19#include "CodePatterns/Observer/Observer.hpp"
20#include "FormatParserInterface.hpp"
21#include "FormatParser_Parameters.hpp"
22#include "types.hpp"
23
24namespace MoleCuilder {
25 class MoleculeLoadAction;
26}
27
28/**
29 * This class encapsulates everything that all specialized FormatParser variants
30 * have in common.
31 *
32 * This is because template classes cannot be partially specialization in a few
33 * functions. Hence, we place all stuff that is common into a separate class.
34 */
35class FormatParser_common : public Observer, virtual public FormatParserInterface
36{
37 friend class MoleCuilder::MoleculeLoadAction;
38public:
39 FormatParser_common(FormatParser_Parameters *_parameters);
40 virtual ~FormatParser_common();
41 void setOstream(std::ostream* file);
42
43protected:
44 void update(Observable *publisher);
45 void recieveNotification(Observable *publisher, Notification_ptr notification);
46 void subjectKilled(Observable *publisher);
47
48 // these functions are called when atoms are inserted or removed
49 virtual void AtomInserted(atomId_t) {};
50 virtual void AtomRemoved(atomId_t) {};
51
52 // functions to add atoms and bonds with ids relative to the parsed file
53 void resetIdAssociations();
54 void associateLocaltoGlobalId(const int local, const int global);
55 int getGlobalId(const int local) const;
56 int getLocalId(const int global) const;
57
58private:
59 //!> Output stream to write to when save() is called.
60 std::ostream* saveStream;
61
62 //!> typedef for atomic id-to-id map
63 typedef std::map<int, int> IdtoIdMap;
64
65 //!> Maps original atom IDs received from the parsed file to atom IDs in the world.
66 IdtoIdMap LocaltoGobalIdMap;
67
68 //!> Maps atom IDs in the World to those received from the parsed file.
69 IdtoIdMap GlobaltoLocalIdMap;
70};
71
72#endif /* FORMATPARSER_COMMON_HPP_ */
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