Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since f45a91 was f8bccc, checked in by Frederik Heber <heber@…>, 11 years ago |
|
FIX: QtQueryList now works with pointers, FileQtQuery gives name of file.
- FileQtQuery always said "input-file:" which becomes ambigious when multiple
files are queried in a single dialog.
- Value_string was a specialization for string type. This was used to also
specialize for element type (and also for atom and molecule type).
- This automatically fixes problems where QtQueryList would show memory
addresses in the list instead of e.g. element names. This occurs because
toString() is used on the pointer, now getName() is called.
|
-
Property mode
set to
100644
|
|
File size:
739 bytes
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| Line | |
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| 1 | /*
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| 2 | * Value_molecule.hpp
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| 3 | *
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| 4 | * Created on: Sep 11, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef VALUE_MOLECULE_HPP_
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| 9 | #define VALUE_MOLECULE_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 |
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| 17 | #include <string>
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| 18 |
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| 19 | #include "Parameters/Value.hpp"
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| 20 |
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| 21 | // This overrides string conversions for the type molecule which need a specific function call.
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| 22 |
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| 23 | template <>
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| 24 | bool Value<const molecule *>::isValidAsString(const std::string &_value) const throw(ParameterValidatorException);
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| 25 |
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| 26 | template <>
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| 27 | const std::string Value<const molecule *>::getAsString() const throw(ParameterValueException);
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| 28 |
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| 29 | template <>
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| 30 | void Value<const molecule *>::setAsString(const std::string &_value) throw(ParameterException);
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| 31 |
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| 32 |
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| 33 | #endif /* VALUE_MOLECULE_HPP_ */
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