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 9cd807 was 86cff86, checked in by Frederik Heber <heber@…>, 14 years ago |
InputAction now parses all possible formats, not only pcp.
- new function FormatParserStorage::get() that checks on the suffix and calls the load() function of the respective specialized FormatParser.
- InputAction changed such that ...
- prefix and suffix are extracted.
- FormatParserStorage::get() is used.
- empty configs are handled, too.
- FormatParserStorage::ParserSuffix changed, removed ".conf".
- TESTFIX: renamed all files to diff accordingly: .conf.xyz -> .xyz, .conf.in -> .in
- BUGFIX: xyz files were written without initial tab in front of comment, fix in ParserUnitTest necessary (i.e. a tab was missing there as we always write it now)
- ChangeElementAction: now needs --atom-by-id and takes the element as argument
|
-
Property mode
set to
100644
|
File size:
1.5 KB
|
Line | |
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1 | /** \file FormatParserStorage.hpp
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2 | *
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3 | * date: Jun, 22 2010
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4 | * author: heber
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5 | *
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6 | */
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7 |
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8 | #ifndef FORMATPARSERSTORAGE_HPP_
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9 | #define FORMATPARSERSTORAGE_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 | #include "Patterns/Singleton.hpp"
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17 |
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18 | #include <string>
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19 | #include <vector>
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20 |
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21 | class FormatParser;
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22 | class MpqcParser;
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23 | class PcpParser;
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24 | class TremoloParser;
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25 | class XyzParser;
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26 |
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27 | // enum has to be outside of class for operator++ to be possible
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28 | enum ParserTypes { mpqc, pcp, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
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29 | typedef enum ParserTypes ParserTypes;
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30 |
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31 | ParserTypes &operator++(ParserTypes &type);
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32 |
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33 | class FormatParserStorage : public Singleton<FormatParserStorage> {
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34 | friend class Singleton<FormatParserStorage>;
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35 | public:
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36 |
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37 |
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38 | void addMpqc();
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39 | void addPcp();
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40 | void addTremolo();
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41 | void addXyz();
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42 |
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43 | bool get(std::istream &input, std::string suffix);
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44 | MpqcParser &getMpqc();
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45 | PcpParser &getPcp();
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46 | TremoloParser &getTremolo();
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47 | XyzParser &getXyz();
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48 |
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49 | void SetOutputPrefixForAll(std::string &_prefix);
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50 | void SaveAll();
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51 |
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52 | private:
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53 | // private constructors as this is a singleton
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54 | FormatParserStorage();
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55 | ~FormatParserStorage();
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56 |
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57 | // list of allocated parsers
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58 | std::vector<FormatParser *> ParserList;
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59 |
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60 | // list of allocated strams
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61 | std::vector<std::ofstream *> ParserStream;
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62 |
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63 | // which parser is already present
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64 | std::vector<bool> ParserPresent;
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65 |
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66 | // default suffix of each parser type
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67 | std::vector<std::string> ParserSuffix;
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68 |
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69 | // prefix of the filenames to use on save
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70 | std::string prefix;
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71 | };
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72 |
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73 | #endif // FORMATPARSERSTORAGE_HPP_
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