source: src/Parser/FormatParserStorage.hpp@ cabb46

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Last change on this file since cabb46 was cabb46, checked in by Frederik Heber <heber@…>, 14 years ago

Extended LoadXyz and SaveXyz to any format.

Testchanges:

  • copied all from Simple_configuration/2/pre to ./post.
  • changes to test.conf:

MaxPsiStep (if 0 given, then 3 is set).
MaxMinGapStopStep (if 0 given, then 1 is set).
InitMaxMinGapStopStep (if 0 given, then 1 is set).

  • changes to test.pdb:

segName is tes (from _tes_t.pdb) not non.
Obtaining molecule names from pdb file's segName is not implemented yet.

  • ParserCommonUnitTest::rewriteAnXyzTest(), we don't check for string equality but parse the output stream again and check whether first and second half of all atoms are equal with respect to position and element.
  • all regression test that diff an xyz file now use -I '.*Created by....*'
  • changed regression tests with respect to changed short forms.
  • Property mode set to 100644
File size: 2.2 KB
Line 
1/** \file FormatParserStorage.hpp
2 *
3 * date: Jun, 22 2010
4 * author: heber
5 *
6 */
7
8#ifndef FORMATPARSERSTORAGE_HPP_
9#define FORMATPARSERSTORAGE_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include "Patterns/Singleton.hpp"
17
18#include <string>
19#include <map>
20#include <vector>
21
22class FormatParser;
23class MpqcParser;
24class PdbParser;
25class PcpParser;
26class TremoloParser;
27class XyzParser;
28
29// enum has to be outside of class for operator++ to be possible
30enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
31typedef enum ParserTypes ParserTypes;
32
33ParserTypes &operator++(ParserTypes &type);
34
35class FormatParserStorage : public Singleton<FormatParserStorage> {
36 friend class Singleton<FormatParserStorage>;
37public:
38
39 void addMpqc();
40 void addPcp();
41 void addPdb();
42 void addTremolo();
43 void addXyz();
44 bool add(std::string type);
45 bool add(ParserTypes type);
46
47 bool get(std::istream &input, std::string suffix);
48 bool put(std::ostream &output, std::string suffix);
49 MpqcParser &getMpqc();
50 PcpParser &getPcp();
51 PdbParser &getPdb();
52 TremoloParser &getTremolo();
53 XyzParser &getXyz();
54
55 ParserTypes getTypeFromName(std::string type);
56 ParserTypes getTypeFromSuffix(std::string type);
57
58 void SetOutputPrefixForAll(std::string &_prefix);
59 void SaveAll();
60
61private:
62 // private constructors as this is a singleton
63 FormatParserStorage();
64 ~FormatParserStorage();
65
66 // list of allocated parsers
67 std::vector<FormatParser *> ParserList;
68
69 // list of allocated strams
70 std::vector<std::ofstream *> ParserStream;
71
72 // which parser is already present
73 std::vector<bool> ParserPresent;
74
75 // default suffix of each parser type
76 std::map<ParserTypes, std::string> ParserSuffixes;
77 std::map<std::string, ParserTypes> ParserLookupSuffixes;
78
79 // function pointers to each add...()
80 std::map< ParserTypes, void (FormatParserStorage::*)() > ParserAddFunction;
81
82 // type name of each parser type and reverse lookup
83 std::map<ParserTypes, std::string> ParserNames;
84 std::map<std::string, ParserTypes> ParserLookupNames;
85
86
87 // prefix of the filenames to use on save
88 std::string prefix;
89};
90
91#endif // FORMATPARSERSTORAGE_HPP_
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