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#define _LARGEFILE_SOURCE64 |
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#define _FILE_OFFSET_BITS 64 |
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#include <sys/types.h> |
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using namespace dumpRead; |
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DumpReader :: DumpReader( char *in_name ){ |
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DumpReader :: DumpReader(const char *in_name ){ |
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isScanned = false; |
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headFP = new FilePos; |
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double time; |
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fpos_t *framePos; |
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framePos = frameStart[whichFrame]->getPos(); |
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#ifndef IS_MPI |
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framePos = frameStart[whichFrame]->getPos(); |
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fsetpos(inFile, framePos); |
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eof_test = fgets(read_buffer, sizeof(read_buffer), inFile); |
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if( eof_test == NULL ){ |
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sprintf( painCave.errMsg, |
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haveError = 0; |
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if (worldRank == 0) { |
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fsetpos(inFile, framePos); |
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eof_test = fgets(read_buffer, sizeof(read_buffer), inFile); |
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if( eof_test == NULL ){ |
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sprintf( painCave.errMsg, |
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char *foo; // the pointer to the current string token |
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double pos[3]; // position place holders |
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double vel[3]; // velocity placeholders |
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double q[4]; // the quaternions |
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double jx, jy, jz; // angular velocity placeholders; |
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double pos[3]; // position place holders |
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double vel[3]; // velocity placeholders |
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double q[4]; // the quaternions |
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double ji[3]; // angular velocity placeholders; |
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double qSqr, qLength; // needed to normalize the quaternion vector. |
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Atom **atoms = simnfo->atoms; |
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// set the string tokenizer |
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foo = strtok(readLine, " ,;\t"); |
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atoms[atomIndex]->setType(foo); |
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// check the atom name to the current atom |
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if( strcmp( foo, atoms[atomIndex]->getType() ) ){ |
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sprintf( painCave.errMsg, |
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"Initialize from file error. Atom %s at index %d " |
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"in file %s does not" |
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" match the BASS atom %s.\n", |
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foo, atomIndex, inName, atoms[atomIndex]->getType() ); |
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return strdup( painCave.errMsg ); |
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} |
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//if( strcmp( foo, atoms[atomIndex]->getType() ) ){ |
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// sprintf( painCave.errMsg, |
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// "Initialize from file error. Atom %s at index %d " |
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// "in file %s does not" |
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// " match the BASS atom %s.\n", |
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// foo, atomIndex, inName, atoms[atomIndex]->getType() ); |
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// return strdup( painCave.errMsg ); |
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//} |
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// get the positions |
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inName, n_atoms, atomIndex ); |
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return strdup( painCave.errMsg ); |
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} |
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jx = atof( foo ); |
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ji[0] = atof( foo ); |
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foo = strtok(NULL, " ,;\t"); |
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if(foo == NULL){ |
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inName, n_atoms, atomIndex ); |
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return strdup( painCave.errMsg ); |
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} |
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jy = atof(foo ); |
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ji[1] = atof(foo ); |
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foo = strtok(NULL, " ,;\t"); |
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if(foo == NULL){ |
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inName, n_atoms, atomIndex ); |
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return strdup( painCave.errMsg ); |
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} |
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jz = atof( foo ); |
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ji[2] = atof( foo ); |
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dAtom = ( DirectionalAtom* )atoms[atomIndex]; |
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// add the angular velocities |
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dAtom->setJx( jx ); |
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dAtom->setJy( jy ); |
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dAtom->setJz( jz ); |
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dAtom->setJ( ji ); |
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} |
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// add the positions and velocities to the atom |
