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Last change
on this file since 01d28a was 01d28a, checked in by Tillmann Crueger <crueger@…>, 16 years ago |
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Added templates that allow arbitrary calculations on atoms to be mapped to sets of Atoms
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Property mode
set to
100644
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File size:
1.1 KB
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| 1 | /*
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| 2 | * AtomsCalculation_impl.hpp
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| 3 | *
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| 4 | * Created on: Feb 19, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef ATOMSCALCULATION_IMPL_HPP_
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| 9 | #define ATOMSCALCULATION_IMPL_HPP_
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| 10 |
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| 11 | #include "Actions/AtomsCalculation.hpp"
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| 12 | #include "Actions/Calculation_impl.hpp"
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| 13 |
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| 14 | #include <iostream>
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| 15 |
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| 16 | using namespace std;
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| 17 |
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| 18 | template<typename T>
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| 19 | AtomsCalculation<T>::AtomsCalculation(boost::function<T(atom*)> _op,std::string name,AtomDescriptor _descr) :
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| 20 | Calculation<std::vector<T> >(0,name,false),
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| 21 | op(_op),
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| 22 | descr(_descr)
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| 23 | {}
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| 24 |
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| 25 | template<typename T>
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| 26 | AtomsCalculation<T>::~AtomsCalculation(){
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| 27 | }
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| 28 |
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| 29 | template<typename T>
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| 30 | std::vector<T>* AtomsCalculation<T>::doCalc(){
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| 31 | World* world = World::get();
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| 32 | int steps = world->numAtoms();
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| 33 | int count = 0;
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| 34 | std::vector<T> *res = new std::vector<T>();
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| 35 | res->reserve(steps);
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| 36 | Process::setMaxSteps(steps);
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| 37 | Process::start();
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| 38 | World::AtomIterator iter;
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| 39 | for(iter=world->getAtomIter(descr);iter!=world->atomEnd();++iter){
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| 40 | Process::setCurrStep(iter.getCount());
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| 41 | res->push_back(op(*iter));
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| 42 | }
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| 43 | Process::stop();
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| 44 | return res;
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| 45 | }
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| 46 |
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| 47 |
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| 48 | #endif /* ATOMSCALCULATION_IMPL_HPP_ */
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