source: src/Parser/FormatParserStorage.hpp@ 091838

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 091838 was 091838, checked in by Frederik Heber <heber@…>, 13 years ago

FormatParserStorage now explicitly needs to know which formats to store automatically.

  • new functions FormatParserStorage::setOutputFormat() for giving this info.
  • FormatParserStorage::SaveAll() only calls setOstream if the format is desired.
  • FIX: FormatParser_common::FormatParser_common() forget to initialize saveStream.
  • FormatParser_common::update() only stores when saveStream is not NULL, i.e. set.
  • SetOutputFormatsAction now uses add and setOutputFormat().
  • InputAction also adds the format of the input file.

Note that this is needed to allow various output formats for BondFragments in
Fragmentation without these formats eventually also being used for the writing
of the main input file.

  • Property mode set to 100644
File size: 3.3 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 <iosfwd>
19#include <map>
20#include <string>
21#include <vector>
22
23#include "CodePatterns/Assert.hpp"
24#include "CodePatterns/Log.hpp"
25#include "FormatParser.hpp"
26#include "ParserTypes.hpp"
27
28class atom;
29class FormatParserInterface;
30
31class FormatParserStorage : public Singleton<FormatParserStorage> {
32 friend class Singleton<FormatParserStorage>;
33public:
34
35 bool add(std::string type);
36 bool add(ParserTypes type);
37
38 bool load(std::istream &input, std::string suffix);
39 bool save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms);
40 bool saveSelectedAtoms(std::ostream &output, std::string suffix);
41 bool saveSelectedMolecules(std::ostream &output, std::string suffix);
42 bool saveWorld(std::ostream &output, std::string suffix);
43
44 void setOutputFormat(ParserTypes type);
45 void setOutputFormat(std::string type);
46
47 FormatParserInterface &get(ParserTypes _type);
48
49 ParserTypes getTypeFromName(std::string type);
50 ParserTypes getTypeFromSuffix(std::string type);
51
52 void SetOutputPrefixForAll(std::string &_prefix);
53 void SaveAll();
54
55private:
56 // private constructors as this is a singleton
57 FormatParserStorage();
58 ~FormatParserStorage();
59
60 // list of allocated parsers
61 std::vector<FormatParserInterface *> ParserList;
62
63 // list of allocated strams
64 std::vector<std::ofstream *> ParserStream;
65
66 // which parser is already present
67 std::vector<bool> ParserPresent;
68
69 // which parser is already present
70 std::vector<bool> ParserDesiredOutputFormat;
71
72 // default suffix of each parser type
73 std::map<ParserTypes, std::string> ParserSuffixes;
74 std::map<std::string, ParserTypes> ParserLookupSuffixes;
75
76 // function pointers to each add...()
77 std::map< ParserTypes, void (FormatParserStorage::*)() > ParserAddFunction;
78
79 // type name of each parser type and reverse lookup
80 std::map<ParserTypes, std::string> ParserNames;
81 std::map<std::string, ParserTypes> ParserLookupNames;
82
83 // prefix of the filenames to use on save
84 std::string prefix;
85
86public:
87 template<ParserTypes Ptype> void addParser()
88 {
89 if (!ParserPresent[Ptype]) {
90 ParserList[Ptype] = new FormatParser<Ptype>();
91 ParserPresent[Ptype] = true;
92 } else {
93 ASSERT(ParserNames.find(Ptype) != ParserNames.end(),
94 "FormatParserStorage::addParser() - ParserNames unknown for type"+toString((size_t)Ptype)+".");
95 ASSERT(ParserSuffixes.find(Ptype) != ParserSuffixes.end(),
96 "FormatParserStorage::addParser() - ParserSuffixes unknown for type"+toString((size_t)Ptype)+".");
97 LOG(2, "INFO: Parser " << ParserNames[Ptype] << " is already present." << std::endl
98 << "Note that you don't need to add '-o "
99 << ParserSuffixes[Ptype] << "' if the input file is non-empty and of type "
100 << ParserSuffixes[Ptype] << "." << std::endl);
101 }
102 }
103
104 template<ParserTypes Ptype> FormatParser<Ptype> &getParser()
105 {
106 if(!ParserPresent[Ptype])
107 addParser< Ptype >();
108 return dynamic_cast<FormatParser<Ptype> &>(*ParserList[Ptype]);
109 }
110};
111
112#endif // FORMATPARSERSTORAGE_HPP_
Note: See TracBrowser for help on using the repository browser.