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#include <sys/stat.h> |
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< |
#include "Atom.hpp" |
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< |
#include "SimInfo.hpp" |
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< |
#include "Thermo.hpp" |
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< |
#include "StuntDouble.hpp" |
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> |
#include "primitives/Atom.hpp" |
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> |
#include "brains/SimInfo.hpp" |
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> |
#include "brains/Thermo.hpp" |
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> |
#include "primitives/StuntDouble.hpp" |
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using namespace std; |
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}; |
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class RestraintWriter{ |
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public: |
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RestraintWriter( SimInfo* the_entry_plug ); |
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~RestraintWriter(); |
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|
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void writeZangle( double currentTime ); |
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void writeZangle(double currentTime, const char *in_name); |
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void writeFrame( vector<ofstream*>& outFile, double finalTime ); |
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#ifdef IS_MPI |
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void update(); |
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#endif |
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private: |
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#ifdef IS_MPI |
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void sortByGlobalIndex(); |
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vector<pair<int, int> > indexArray; |
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#endif |
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SimInfo* entry_plug; |
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ofstream zAngFile; |
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}; |
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class InitializeFromFile{ |
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public: |
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SimInfo *simnfo; |
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}; |
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class RestraintReader{ |
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public: |
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RestraintReader( SimInfo* the_simnfo ); |
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~RestraintReader(); |
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void readIdealCrystal(); |
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void readZangle( const char *in_name ); |
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void zeroZangle(); |
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#ifdef IS_MPI |
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void anonymousNodeDie( void ); |
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void nodeZeroError( void ); |
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#endif |
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private: |
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char* parseIdealLine(char* readLine, StuntDouble* sd); |
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char *idealName; |
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FILE *inFile; |
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FILE *inAngFile; |
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FILE *inIdealFile; |
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string inFileName; |
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string inAngFileName; |
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string inIdealFileName; |
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bool isScanned; |
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double angleTransfer; |
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vector<fpos_t*> framePos; |
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SimInfo *simnfo; |
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}; |
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#endif |