[bcf653] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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[52baf9] | 8 | /** \file FormatParserStorage.cpp
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| 9 | *
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| 10 | * date: Jun, 22 2010
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| 11 | * author: heber
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| 12 | *
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| 13 | */
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| 14 |
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[bf3817] | 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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[bbbad5] | 20 | #include "Helpers/MemDebug.hpp"
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| 21 |
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[52baf9] | 22 | #include <iostream>
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| 23 | #include <fstream>
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| 24 |
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| 25 | #include "Parser/FormatParserStorage.hpp"
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| 26 |
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| 27 | #include "Parser/FormatParser.hpp"
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| 28 | #include "Parser/MpqcParser.hpp"
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| 29 | #include "Parser/PcpParser.hpp"
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[bb6193] | 30 | #include "Parser/PdbParser.hpp"
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[52baf9] | 31 | #include "Parser/TremoloParser.hpp"
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| 32 | #include "Parser/XyzParser.hpp"
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| 33 |
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[952f38] | 34 | #include "Helpers/Log.hpp"
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| 35 | #include "Helpers/Verbose.hpp"
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[52baf9] | 36 |
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| 37 | #include "Helpers/Assert.hpp"
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| 38 |
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| 39 | #include "Patterns/Singleton_impl.hpp"
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| 40 |
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[dc0d21] | 41 | /** Increment operator for the enumeration ParserTypes to allow loops.
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| 42 | * \param &type value
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| 43 | * \return value incremented by one
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| 44 | */
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| 45 | ParserTypes &operator++(ParserTypes &type)
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| 46 | {
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| 47 | return type = ParserTypes(type+1);
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| 48 | }
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| 49 |
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[52baf9] | 50 | /** Constructor of class FormatParserStorage.
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| 51 | */
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| 52 | FormatParserStorage::FormatParserStorage()
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| 53 | {
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| 54 | ParserList.resize(ParserTypes_end, NULL);
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[60239f] | 55 | ParserStream.resize(ParserTypes_end, NULL);
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[52baf9] | 56 | ParserPresent.resize(ParserTypes_end, false);
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| 57 | ParserSuffix.resize(ParserTypes_end, "");
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| 58 |
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[5c6946] | 59 | ParserNames[mpqc] = "mpqc";
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| 60 | ParserNames[pcp] = "pcp";
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[bb6193] | 61 | ParserNames[pdb] = "pdb";
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[5c6946] | 62 | ParserNames[tremolo] = "tremolo";
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| 63 | ParserNames[xyz] = "xyz";
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| 64 |
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| 65 | for (std::map<ParserTypes, std::string>::const_iterator it = ParserNames.begin(); it != ParserNames.end(); ++it)
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| 66 | ParserLookupNames.insert(pair<std::string, ParserTypes>(it->second,it->first) );
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| 67 |
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[86cff86] | 68 | ParserSuffix[mpqc] = "in";
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[52baf9] | 69 | ParserSuffix[pcp] = "conf";
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[bb6193] | 70 | ParserSuffix[pdb] = "pdb";
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[86cff86] | 71 | ParserSuffix[tremolo] = "data";
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| 72 | ParserSuffix[xyz] = "xyz";
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[5c6946] | 73 |
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| 74 | ParserAddFunction[mpqc] = &FormatParserStorage::addMpqc;
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| 75 | ParserAddFunction[pcp] = &FormatParserStorage::addPcp;
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[bb6193] | 76 | ParserAddFunction[pdb] = &FormatParserStorage::addPdb;
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[5c6946] | 77 | ParserAddFunction[tremolo] = &FormatParserStorage::addTremolo;
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| 78 | ParserAddFunction[xyz] = &FormatParserStorage::addXyz;
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[52baf9] | 79 | }
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| 80 |
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| 81 | /** Destructor of class FormatParserStorage.
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| 82 | * Free all stored FormatParsers.
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| 83 | * Save on Exit.
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| 84 | */
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| 85 | FormatParserStorage::~FormatParserStorage()
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| 86 | {
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| 87 | for (ParserTypes iter = ParserTypes_begin; iter < ParserTypes_end; ++iter)
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[60239f] | 88 | if (ParserPresent[iter]) {
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| 89 | if (ParserStream[iter]->is_open())
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| 90 | ParserStream[iter]->close();
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| 91 | delete ParserStream[iter];
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[52baf9] | 92 | delete ParserList[iter];
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[60239f] | 93 | }
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[52baf9] | 94 | }
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| 95 |
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| 96 | /** Sets the filename of all current parsers in storage to prefix.suffix.
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| 97 | * \param &prefix prefix to use.
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| 98 | */
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| 99 | void FormatParserStorage::SetOutputPrefixForAll(std::string &_prefix)
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| 100 | {
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| 101 | prefix=_prefix;
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| 102 | };
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| 103 |
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| 104 |
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| 105 | void FormatParserStorage::SaveAll()
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| 106 | {
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| 107 | std::string filename;
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| 108 | for (ParserTypes iter = ParserTypes_begin; iter < ParserTypes_end; ++iter)
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| 109 | if (ParserPresent[iter]) {
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| 110 | filename = prefix;
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| 111 | filename += ".";
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| 112 | filename += ParserSuffix[iter];
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[60239f] | 113 | ParserStream[iter] = new std::ofstream(filename.c_str());
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| 114 | ParserList[iter]->setOstream((std::ostream *)ParserStream[iter]);
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[52baf9] | 115 | }
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| 116 | }
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| 117 |
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| 118 |
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| 119 | /** Adds an MpqcParser to the storage.
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| 120 | */
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[dc0d21] | 121 | void FormatParserStorage::addMpqc()
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[52baf9] | 122 | {
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[dc0d21] | 123 | if (!ParserPresent[mpqc]) {
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[52baf9] | 124 | ParserList[mpqc] = dynamic_cast<FormatParser *>(new MpqcParser);
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[dc0d21] | 125 | ParserPresent[mpqc] = true;
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| 126 | }
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[52baf9] | 127 | else
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| 128 | DoeLog(1) && (eLog() << Verbose(1) << "Parser mpqc is already present." << endl);
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| 129 | }
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| 130 |
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[5c6946] | 131 |
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[52baf9] | 132 | /** Adds an PcpParser to the storage.
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| 133 | */
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[dc0d21] | 134 | void FormatParserStorage::addPcp()
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[52baf9] | 135 | {
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[dc0d21] | 136 | if (!ParserPresent[pcp]) {
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[52baf9] | 137 | ParserList[pcp] = new PcpParser();
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[dc0d21] | 138 | ParserPresent[pcp] = true;
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| 139 | } else
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[52baf9] | 140 | DoeLog(1) && (eLog() << Verbose(1) << "Parser pcp is already present." << endl);
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| 141 | }
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| 142 |
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| 143 |
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[bb6193] | 144 | /** Adds an PdbParser to the storage.
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| 145 | */
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| 146 | void FormatParserStorage::addPdb()
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| 147 | {
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| 148 | if (!ParserPresent[pdb]) {
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| 149 | ParserList[pdb] = new PdbParser();
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| 150 | ParserPresent[pdb] = true;
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| 151 | } else
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| 152 | DoeLog(1) && (eLog() << Verbose(1) << "Parser pdb is already present." << endl);
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| 153 | }
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| 154 |
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| 155 |
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[52baf9] | 156 | /** Adds an TremoloParser to the storage.
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| 157 | */
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[dc0d21] | 158 | void FormatParserStorage::addTremolo()
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[52baf9] | 159 | {
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[dc0d21] | 160 | if (!ParserPresent[tremolo]) {
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[52baf9] | 161 | ParserList[tremolo] = new TremoloParser();
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[dc0d21] | 162 | ParserPresent[tremolo] = true;
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| 163 | } else
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[52baf9] | 164 | DoeLog(1) && (eLog() << Verbose(1) << "Parser tremolo is already present." << endl);
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| 165 | }
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| 166 |
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| 167 |
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| 168 | /** Adds an XyzParser to the storage.
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| 169 | */
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[dc0d21] | 170 | void FormatParserStorage::addXyz()
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[52baf9] | 171 | {
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[dc0d21] | 172 | if (!ParserPresent[xyz]) {
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[52baf9] | 173 | ParserList[xyz] = new XyzParser();
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[dc0d21] | 174 | ParserPresent[xyz] = true;
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| 175 | } else
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[52baf9] | 176 | DoeLog(1) && (eLog() << Verbose(1) << "Parser xyz is already present." << endl);
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| 177 | }
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| 178 |
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[5c6946] | 179 | ParserTypes FormatParserStorage::getType(std::string type)
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| 180 | {
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| 181 | if (ParserLookupNames.find(type) == ParserLookupNames.end()) {
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| 182 | DoeLog(1) && (eLog() << Verbose(1) << "Unknown type " << type << "." << endl);
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| 183 | return ParserTypes_end;
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| 184 | } else
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| 185 | return ParserLookupNames[type];
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| 186 | }
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| 187 |
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| 188 | bool FormatParserStorage::add(ParserTypes ptype)
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| 189 | {
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| 190 | if (ptype != ParserTypes_end) {
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| 191 | if (ParserAddFunction.find(ptype) != ParserAddFunction.end()) {
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| 192 | DoLog(0) && (Log() << Verbose(0) << "Adding " << ParserNames[ptype] << " type to output." << endl);
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| 193 | (getInstance().*(ParserAddFunction[ptype]))(); // we still need an object to work on ...
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| 194 | return true;
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| 195 | } else {
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| 196 | DoeLog(1) && (eLog() << Verbose(1) << "No parser to add for this known type " << ParserNames[ptype] << ", not implemented?" << endl);
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| 197 | return false;
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| 198 | }
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| 199 | } else {
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| 200 | return false;
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| 201 | }
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| 202 | }
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| 203 |
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| 204 | bool FormatParserStorage::add(std::string type)
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| 205 | {
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| 206 | return add(getType(type));
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| 207 | }
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| 208 |
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| 209 |
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[86cff86] | 210 | /** Parses an istream depending on its suffix
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| 211 | * \param &input input stream
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| 212 | * \param suffix
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| 213 | * \return true - parsing ok, false - suffix unknown
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| 214 | */
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| 215 | bool FormatParserStorage::get(std::istream &input, std::string suffix)
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| 216 | {
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| 217 | if (suffix == ParserSuffix[mpqc]) {
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| 218 | getMpqc().load(&input);
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| 219 | } else if (suffix == ParserSuffix[pcp]) {
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| 220 | getPcp().load(&input);
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[bb6193] | 221 | } else if (suffix == ParserSuffix[pdb]) {
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| 222 | getPdb().load(&input);
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[86cff86] | 223 | } else if (suffix == ParserSuffix[tremolo]) {
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| 224 | getTremolo().load(&input);
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| 225 | } else if (suffix == ParserSuffix[xyz]) {
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| 226 | getXyz().load(&input);
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| 227 | } else {
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[5c6946] | 228 | DoeLog(1) && (eLog() << Verbose(1) << "Unknown suffix " << suffix << " to for FormatParserStorage::get()." << endl);
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[86cff86] | 229 | return false;
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| 230 | }
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| 231 | return true;
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| 232 | }
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| 233 |
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[dc0d21] | 234 | /** Returns reference to the output MpqcParser, adds if not present.
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| 235 | * \return reference to the output MpqcParser
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| 236 | */
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| 237 | MpqcParser &FormatParserStorage::getMpqc()
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| 238 | {
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| 239 | if (!ParserPresent[mpqc])
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| 240 | addMpqc();
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| 241 | return dynamic_cast<MpqcParser &>(*ParserList[mpqc]);
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| 242 | }
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| 243 |
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| 244 | /** Returns reference to the output PcpParser, adds if not present.
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| 245 | * \return reference to the output PcpParser
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| 246 | */
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| 247 | PcpParser &FormatParserStorage::getPcp()
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| 248 | {
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| 249 | if (!ParserPresent[pcp])
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| 250 | addPcp();
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| 251 | return dynamic_cast<PcpParser &>(*ParserList[pcp]);
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| 252 | }
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| 253 |
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[bb6193] | 254 | /** Returns reference to the output PdbParser, adds if not present.
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| 255 | * \return reference to the output PdbParser
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| 256 | */
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| 257 | PdbParser &FormatParserStorage::getPdb()
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| 258 | {
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| 259 | if (!ParserPresent[pdb])
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| 260 | addPdb();
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| 261 | return dynamic_cast<PdbParser &>(*ParserList[pdb]);
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| 262 | }
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| 263 |
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[dc0d21] | 264 | /** Returns reference to the output TremoloParser, adds if not present.
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| 265 | * \return reference to the output TremoloParser
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| 266 | */
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| 267 | TremoloParser &FormatParserStorage::getTremolo()
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| 268 | {
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| 269 | if (!ParserPresent[tremolo])
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| 270 | addTremolo();
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| 271 | return dynamic_cast<TremoloParser &>(*ParserList[tremolo]);
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| 272 | }
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| 273 |
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| 274 | /** Returns reference to the output XyzParser, adds if not present.
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| 275 | * \return reference to the output XyzParser
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| 276 | */
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| 277 | XyzParser &FormatParserStorage::getXyz()
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| 278 | {
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| 279 | if (!ParserPresent[xyz])
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| 280 | addXyz();
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| 281 | return dynamic_cast<XyzParser &>(*ParserList[xyz]);
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| 282 | }
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| 283 |
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| 284 |
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[52baf9] | 285 |
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| 286 | CONSTRUCT_SINGLETON(FormatParserStorage)
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