#include <GromacsTopFile.h>
Public Member Functions | |
| GenericAtom (const char *theType, int theTypeNum, int theResNum, const char *theResType, const char *theAtomName, Real theCharge, Real theMass) | |
| const char * | getType () const |
| int | getTypeNum () const |
| int | getResNum () const |
| const char * | getResType () const |
| const char * | getAtomName () const |
| Real | getCharge () const |
| Real | getMass () const |
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Definition at line 671 of file GromacsTopFile.C. References NAMESIZE. 00673 {
00674 strncpy(type,theType,NAMESIZE+1);
00675 typeNum = theTypeNum;
00676 resNum = theResNum;
00677 strncpy(resType,theResType,NAMESIZE+1);
00678 strncpy(atomName,theAtomName,NAMESIZE+1);
00679 charge = theCharge;
00680 mass = theMass;
00681 }
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Definition at line 104 of file GromacsTopFile.h. Referenced by GromacsTopFile::getAtom(). 00104 {return atomName;}
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Definition at line 105 of file GromacsTopFile.h. References Real. Referenced by GromacsTopFile::getAtom(). 00105 {return charge;}
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Definition at line 106 of file GromacsTopFile.h. References Real. Referenced by GromacsTopFile::getAtom(). 00106 {return mass;}
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Definition at line 102 of file GromacsTopFile.h. Referenced by GromacsTopFile::getAtom(). 00102 {return resNum;}
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Definition at line 103 of file GromacsTopFile.h. Referenced by GromacsTopFile::getAtom(). 00103 {return resType;}
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Definition at line 100 of file GromacsTopFile.h. Referenced by GromacsTopFile::getAtom(). 00100 { return type; }
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Definition at line 101 of file GromacsTopFile.h. Referenced by GromacsTopFile::getAtom(). 00101 { return typeNum; }
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1.3.9.1