source: src/Parser/FormatParserStorage.hpp@ ebb87c

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since ebb87c was 6d0f058, checked in by Frederik Heber <heber@…>, 13 years ago

Removed all FormatParserStorage::get() and ::set().

  • we now call directly the template getParser<>(), setParser<>() versions in the few places needed.
  • simplified ::load() and ::save() a lot by using getTypeFromSuffix() instead of the ugly if sequence.
  • Property mode set to 100644
File size: 3.7 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 "CodePatterns/Singleton.hpp"
17
18#include <string>
19#include <map>
20#include <vector>
21
22#include "Parser/FormatParser.hpp"
23#include "Parser/MpqcParser.hpp"
24#include "Parser/PcpParser.hpp"
25#include "Parser/PdbParser.hpp"
26#include "Parser/TremoloParser.hpp"
27#include "Parser/XyzParser.hpp"
28
29class atom;
30
31// enum has to be outside of class for operator++ to be possible
32enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
33typedef enum ParserTypes ParserTypes;
34
35ParserTypes &operator++(ParserTypes &type);
36
37template <class T> enum ParserTypes getPType();
38template <> enum ParserTypes getPType<MpqcParser>();
39template <> enum ParserTypes getPType<PcpParser>();
40template <> enum ParserTypes getPType<PdbParser>();
41template <> enum ParserTypes getPType<TremoloParser>();
42template <> enum ParserTypes getPType<XyzParser>();
43
44
45class FormatParserStorage : public Singleton<FormatParserStorage> {
46 friend class Singleton<FormatParserStorage>;
47public:
48
49 bool add(std::string type);
50 bool add(ParserTypes type);
51
52 bool load(std::istream &input, std::string suffix);
53 bool save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms);
54 bool saveSelectedAtoms(std::ostream &output, std::string suffix);
55 bool saveSelectedMolecules(std::ostream &output, std::string suffix);
56 bool saveWorld(std::ostream &output, std::string suffix);
57
58 FormatParser &get(enum ParserTypes _type);
59
60 ParserTypes getTypeFromName(std::string type);
61 ParserTypes getTypeFromSuffix(std::string type);
62
63 void SetOutputPrefixForAll(std::string &_prefix);
64 void SaveAll();
65
66private:
67 // private constructors as this is a singleton
68 FormatParserStorage();
69 ~FormatParserStorage();
70
71 // list of allocated parsers
72 std::vector<FormatParser *> ParserList;
73
74 // list of allocated strams
75 std::vector<std::ofstream *> ParserStream;
76
77 // which parser is already present
78 std::vector<bool> ParserPresent;
79
80 // default suffix of each parser type
81 std::map<ParserTypes, std::string> ParserSuffixes;
82 std::map<std::string, ParserTypes> ParserLookupSuffixes;
83
84 // function pointers to each add...()
85 std::map< ParserTypes, void (FormatParserStorage::*)() > ParserAddFunction;
86
87 // type name of each parser type and reverse lookup
88 std::map<ParserTypes, std::string> ParserNames;
89 std::map<std::string, ParserTypes> ParserLookupNames;
90
91
92 // prefix of the filenames to use on save
93 std::string prefix;
94
95public:
96
97 template<class ParserT> void addParser()
98 {
99 enum ParserTypes Ptype = getPType<ParserT>();
100 if (!ParserPresent[Ptype]) {
101 ParserList[Ptype] = new ParserT();
102 ParserPresent[Ptype] = true;
103 } else {
104 ASSERT(ParserNames.find(Ptype) != ParserNames.end(),
105 "FormatParserStorage::addParser() - ParserNames unknown for type"+toString((size_t)Ptype)+".");
106 ASSERT(ParserSuffixes.find(Ptype) != ParserSuffixes.end(),
107 "FormatParserStorage::addParser() - ParserSuffixes unknown for type"+toString((size_t)Ptype)+".");
108 LOG(2, "INFO: Parser " << ParserNames[Ptype] << " is already present." << std::endl
109 << "Note that you don't need to add '-o "
110 << ParserSuffixes[Ptype] << "' if the input file is non-empty and of type "
111 << ParserSuffixes[Ptype] << "." << std::endl);
112 }
113 }
114
115 template<class ParserT> ParserT &getParser()
116 {
117 enum ParserTypes Ptype = getPType<ParserT>();
118 if(!ParserPresent[Ptype])
119 addParser<ParserT>();
120 return dynamic_cast<ParserT &>(*ParserList[Ptype]);
121 }
122
123};
124
125#endif // FORMATPARSERSTORAGE_HPP_
Note: See TracBrowser for help on using the repository browser.