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#include <iostream> |
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#include <fstream> |
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#include <cstring> |
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#include <cstdio> |
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#include <cstdlib> |
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#include <string.h> |
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <unistd.h> |
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#include <sys/types.h> |
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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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using namespace std; |
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class FilePos{ |
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public: |
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FilePos(){ |
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myPos = NULL; |
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next = NULL; |
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} |
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FilePos( fpos_t* thePos ) { |
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myPos = thePos; |
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next = NULL; |
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} |
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~FilePos(){ |
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if( next != NULL ) delete next; |
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if( myPos != NULL ) delete myPos; |
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} |
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|
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void add( fpos_t *thePos ){ |
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if( next != NULL ) |
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next->add( thePos ); |
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else |
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next = new FilePos( thePos ); |
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} |
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FilePos &operator=(fpos_t *thePos){ myPos = thePos; return *this; } |
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void setPos( fpos_t *thePos ){ myPos = thePos; } |
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fpos_t *getPos( void ){ return myPos; } |
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FilePos* getNext( void ) { return next; } |
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private: |
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fpos_t *myPos; |
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FilePos* next; |
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}; |
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class DumpWriter{ |
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public: |
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InitializeFromFile( char *in_name ); |
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~InitializeFromFile(); |
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void read_xyz( SimInfo* the_entry_plug ); |
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void readInit( SimInfo* the_entry_plug ); |
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private: |
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char* parseDumpLine(char* line, int atomIndex); |
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char* parseBoxLine(char* line, double boxMat[9] ); |
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char* parseBoxLine(char* line, double boxMat[9], double &time ); |
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FILE *c_in_file; |
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char c_in_name[500]; |
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SimInfo* simnfo; |
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}; |
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class DumpReader{ |
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public: |
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DumpReader( char *in_name ); |
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~DumpReader(); |
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int getNframes(); |
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void scanFile( void ); |
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void getNextFrame() {} |
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void readFrame(SimInfo* the_simnfo, int whichFrame); |
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private: |
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void readSet( int whichFrame ); |
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char* parseDumpLine(char* line, int atomIndex); |
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char* parseCommentLine(char* line, double &time, double boxMat[9] ); |
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FILE *inFile; |
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char inName[500]; |
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bool isScanned; |
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int nFrames; |
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FilePos** frameStart; |
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FilePos* headFP; |
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SimInfo *simnfo; |
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}; |
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#endif |
