source: src/Actions/Calculation_impl.hpp@ 7516f6

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 7516f6 was a82f61, checked in by Frederik Heber <heber@…>, 10 years ago

Added Action::setOptionValue() which allows setting the option via a string.

  • this is preparatory for allowing the creation of MakroActions inside the code. We need to set the options without going through dialogs in some way or another and without being completely inside the Actions as is the case for the COMMAND variants and the python function calls.
  • Property mode set to 100644
File size: 2.0 KB
RevLine 
[7c4e29]1/*
2 * Calculation_impl.hpp
3 *
4 * Created on: Feb 19, 2010
5 * Author: crueger
6 */
7
8#ifndef CALCULATION_IMPL_HPP_
9#define CALCULATION_IMPL_HPP_
10
[56f73b]11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
[b54ac8]17#include "Actions/Calculation.hpp"
18
[7c4e29]19#include <cassert>
[46b181]20#include <iostream>
[7c4e29]21
[ce7fdc]22using namespace MoleCuilder;
23
[7c4e29]24template<typename T>
[126867]25Calculation<T>::Calculation(int _maxSteps, const ActionTrait &_trait) :
[c09f94]26 Process(_trait),
[ead4e6]27 result(0),
28 done(false)
[c09f94]29{
30 setMaxSteps(_maxSteps);
31}
[7c4e29]32
33template<typename T>
34Calculation<T>::~Calculation()
[b54ac8]35{
36 delete result;
37}
[7c4e29]38
39// methods inherited from Action
40
41template<typename T>
[b5b01e]42ActionState::ptr Calculation<T>::performCall(){
[b54ac8]43 reset();
44 (*this)();
[67e2b3]45 return Action::success;
[7c4e29]46}
47
48template<typename T>
[b5b01e]49ActionState::ptr Calculation<T>::performUndo(ActionState::ptr){
[67e2b3]50 ASSERT(0,"Cannot undo a calculation");
51 return Action::success;
52}
53template<typename T>
[b5b01e]54ActionState::ptr Calculation<T>::performRedo(ActionState::ptr){
[67e2b3]55 ASSERT(0,"Cannot redo a calculation");
56 return Action::success;
57}
[7c4e29]58
59template<typename T>
60bool Calculation<T>::canUndo()
61{
62 return false;
63}
64
[67e2b3]65template<typename T>
66bool Calculation<T>::shouldUndo()
67{
68 return false;
69}
70
[46b181]71template<typename T>
72void Calculation<T>::outputAsCLI(std::ostream &ost) const
73{
74}
75
[477012]76template<typename T>
77void Calculation<T>::outputAsPython(std::ostream &ost, const std::string &prefix) const
78{}
79
[a82f61]80template<typename T>
81void Calculation<T>::setOptionValue(const std::string &_token, const std::string &_value)
82{}
83
[7c4e29]84// methods for calculation infrastructure
85
86template<typename T>
[b54ac8]87T Calculation<T>::operator()(){
[7c4e29]88 if(!done){
89 result = doCalc();
90 done = true;
91 }
[b54ac8]92 return *result;
[7c4e29]93}
94
95template<typename T>
[af5384]96bool Calculation<T>::hasResult() const {
[7c4e29]97 return done;
98}
99
100template<typename T>
[af5384]101T Calculation<T>::getResult() const {
[7c4e29]102 assert(done && "No result calculated");
103 return *result;
104}
105
106template<typename T>
107void Calculation<T>::reset(){
108 done = false;
[b54ac8]109 delete result;
[7c4e29]110 result = 0;
111}
112
113#endif /* CALCULATION_IMPL_HPP_ */
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