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 fae462 was 992839, checked in by Frederik Heber <heber@…>, 11 years ago |
Added more complex python example to regression test of store session.
- fixed output of Actions as python script.
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-
Property mode
set to
100644
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File size:
1.6 KB
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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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23 | class RealSpaceMatrix;
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24 | class Vector;
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25 |
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26 | template <typename T>
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27 | inline
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28 | const std::string toPythonString( const T& _value)
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29 | {
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30 | std::stringstream output;
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31 | output << _value;
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32 | return output.str();
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33 | }
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34 |
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35 | template <typename T>
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36 | inline
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37 | const std::string toPythonString( const T *& _value)
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38 | {
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39 | std::stringstream output;
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40 | output << toPythonString(*_value);
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41 | return output.str();
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42 | }
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43 |
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44 | template <typename T>
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45 | inline
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46 | const std::string toPythonString( const T * _value)
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47 | {
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48 | std::stringstream output;
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49 | output << toPythonString(*_value);
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50 | return output.str();
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51 | }
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52 |
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53 | template <typename T>
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54 | inline
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55 | const std::string toPythonString( const std::vector<T>& _values)
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56 | {
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57 | std::stringstream output;
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58 | for (typename std::vector<T>::const_iterator iter = _values.begin();
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59 | iter != _values.end();
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60 | ++iter) {
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61 | const T& _value = *iter;
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62 | if (iter != _values.begin())
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63 | output << " ";
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64 | output << toPythonString(_value);
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65 | }
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66 | return output.str();
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67 | }
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68 |
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69 | template <> const std::string toPythonString( const element & _value);
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70 |
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71 | template <> const std::string toPythonString( const boost::filesystem::path & _value);
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72 |
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73 | template <> const std::string toPythonString( const RealSpaceMatrix& _value);
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74 |
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75 | template <> const std::string toPythonString( const Vector& _value);
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76 |
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77 |
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78 | #endif /* TOPYTHONSTRING_HPP_ */
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