Candidate_v1.6.1
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Last change
on this file was 6f0841, checked in by Frederik Heber <heber@…>, 13 years ago |
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Shifted all modules related to atoms into own subfolder src/Atom/
- also created own convenience library for this. This makes unit testing on
list containing TesselPoint or atom a lot easier.
- shifted TesselPoint to src/Atom from src/Tesselation and adapted include's.
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-
Property mode
set to
100644
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File size:
1.2 KB
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| 1 | /*
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| 2 | * Thermostat.hpp
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| 3 | *
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| 4 | * Created on: Aug 18, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef THERMOSTAT_HPP_
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| 9 | #define THERMOSTAT_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 | class config;
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| 18 |
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| 19 | #include <string>
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| 20 | #include <set>
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| 21 | #include <vector>
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| 22 | #include <list>
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| 23 | #include "Atom/AtomSet.hpp"
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| 24 |
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| 25 | class ThermoStatContainer;
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| 26 |
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| 27 | class Thermostat
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| 28 | {
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| 29 | public:
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| 30 | Thermostat();
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| 31 | virtual ~Thermostat();
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| 32 |
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| 33 | // cannot template this, because we need virtual functions
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| 34 | virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::list) atoms)=0;
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| 35 | virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::vector) atoms)=0;
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| 36 | virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::set) atoms)=0;
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| 37 |
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| 38 | virtual std::string name()=0;
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| 39 |
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| 40 | virtual std::string writeParams()=0;
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| 41 | void addToContainer(ThermoStatContainer *);
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| 42 | protected:
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| 43 | ThermoStatContainer &getContainer();
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| 44 | private:
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| 45 | ThermoStatContainer* container;
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| 46 | };
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| 47 |
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| 48 | template <class Thermostat>
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| 49 | struct ThermostatTraits;
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| 50 |
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| 51 | template <>
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| 52 | struct ThermostatTraits<Thermostat>{
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| 53 | virtual Thermostat *make(class ConfigFileBuffer * const fb)=0;
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| 54 | virtual std::string getName();
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| 55 | static const char* name;
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| 56 | };
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| 57 |
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| 58 | #endif /* THERMOSTAT_HPP_ */
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