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 d93d2c was 33e801, checked in by Frederik Heber <heber@…>, 10 years ago |
Added ParameterPair (i.e. "key = value;") to allow other string output.
- this will solve the problem of vectors of key-value-pairs not properly
converted into a single string because of missing semicolon.
- FIX: toCLIString used functions toPythonString if possible.
|
-
Property mode
set to
100644
|
File size:
1.7 KB
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[992839] | 1 | /*
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| 2 | * toPythonString.hpp
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| 3 | *
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| 4 | * Created on: Aug 26, 2013
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef TOPYTHONSTRING_HPP_
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| 9 | #define TOPYTHONSTRING_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 <boost/filesystem/path.hpp>
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| 17 |
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| 18 | #include <string>
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| 19 | #include <sstream>
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| 20 | #include <vector>
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| 21 |
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| 22 | class element;
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[33e801] | 23 | struct KeyValuePair;
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[992839] | 24 | class RealSpaceMatrix;
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| 25 | class Vector;
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| 26 |
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| 27 | template <typename T>
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| 28 | inline
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| 29 | const std::string toPythonString( const T& _value)
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| 30 | {
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| 31 | std::stringstream output;
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| 32 | output << _value;
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| 33 | return output.str();
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| 34 | }
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| 35 |
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| 36 | template <typename T>
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| 37 | inline
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| 38 | const std::string toPythonString( const T *& _value)
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| 39 | {
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| 40 | std::stringstream output;
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| 41 | output << toPythonString(*_value);
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| 42 | return output.str();
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| 43 | }
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| 44 |
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| 45 | template <typename T>
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| 46 | inline
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| 47 | const std::string toPythonString( const T * _value)
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| 48 | {
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| 49 | std::stringstream output;
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| 50 | output << toPythonString(*_value);
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| 51 | return output.str();
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| 52 | }
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| 53 |
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| 54 | template <typename T>
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| 55 | inline
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| 56 | const std::string toPythonString( const std::vector<T>& _values)
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| 57 | {
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| 58 | std::stringstream output;
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| 59 | for (typename std::vector<T>::const_iterator iter = _values.begin();
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| 60 | iter != _values.end();
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| 61 | ++iter) {
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| 62 | const T& _value = *iter;
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| 63 | if (iter != _values.begin())
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| 64 | output << " ";
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| 65 | output << toPythonString(_value);
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| 66 | }
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| 67 | return output.str();
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| 68 | }
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| 69 |
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| 70 | template <> const std::string toPythonString( const element & _value);
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| 71 |
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| 72 | template <> const std::string toPythonString( const boost::filesystem::path & _value);
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| 73 |
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[33e801] | 74 | template <> const std::string toPythonString( const KeyValuePair& _value);
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| 75 |
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[992839] | 76 | template <> const std::string toPythonString( const RealSpaceMatrix& _value);
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| 77 |
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| 78 | template <> const std::string toPythonString( const Vector& _value);
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| 79 |
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| 80 |
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| 81 | #endif /* TOPYTHONSTRING_HPP_ */
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