NAMD
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#include <structures.h>
Public Member Functions | |
AtomSignature () | |
AtomSignature (const AtomSignature &sig) | |
AtomSignature & | operator= (const AtomSignature &sig) |
int | operator== (const AtomSignature &sig) const |
~AtomSignature () | |
void | removeEmptyTupleSigs () |
void | pack (MOStream *msg) |
void | unpack (MIStream *msg) |
Public Attributes | |
int | bondCnt |
int | angleCnt |
int | dihedralCnt |
int | improperCnt |
int | crosstermCnt |
int | gromacsPairCnt |
TupleSignature * | bondSigs |
TupleSignature * | angleSigs |
TupleSignature * | dihedralSigs |
TupleSignature * | improperSigs |
TupleSignature * | crosstermSigs |
TupleSignature * | gromacsPairSigs |
Definition at line 323 of file structures.h.
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inline |
Definition at line 341 of file structures.h.
References angleCnt, angleSigs, bondCnt, bondSigs, crosstermCnt, crosstermSigs, dihedralCnt, dihedralSigs, gromacsPairCnt, gromacsPairSigs, improperCnt, and improperSigs.
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inline |
Definition at line 353 of file structures.h.
References angleCnt, angleSigs, bondCnt, bondSigs, crosstermCnt, crosstermSigs, dihedralCnt, dihedralSigs, gromacsPairCnt, gromacsPairSigs, improperCnt, and improperSigs.
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inline |
Definition at line 488 of file structures.h.
References angleSigs, bondSigs, crosstermSigs, dihedralSigs, gromacsPairSigs, and improperSigs.
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inline |
Definition at line 406 of file structures.h.
References angleCnt, angleSigs, bondCnt, bondSigs, crosstermCnt, crosstermSigs, dihedralCnt, dihedralSigs, gromacsPairCnt, gromacsPairSigs, improperCnt, and improperSigs.
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inline |
Definition at line 464 of file structures.h.
References angleCnt, bondCnt, CMPSIGS, crosstermCnt, dihedralCnt, gromacsPairCnt, and improperCnt.
void AtomSignature::removeEmptyTupleSigs | ( | ) |
int AtomSignature::angleCnt |
Definition at line 326 of file structures.h.
Referenced by AtomSignature(), dumpbench(), AngleElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::angleSigs |
Definition at line 334 of file structures.h.
Referenced by AtomSignature(), dumpbench(), AngleElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().
int AtomSignature::bondCnt |
Definition at line 325 of file structures.h.
Referenced by AtomSignature(), dumpbench(), BondElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::bondSigs |
Definition at line 333 of file structures.h.
Referenced by AtomSignature(), dumpbench(), BondElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().
int AtomSignature::crosstermCnt |
Definition at line 329 of file structures.h.
Referenced by AtomSignature(), CrosstermElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::crosstermSigs |
Definition at line 337 of file structures.h.
Referenced by AtomSignature(), CrosstermElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().
int AtomSignature::dihedralCnt |
Definition at line 327 of file structures.h.
Referenced by AtomSignature(), dumpbench(), DihedralElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::dihedralSigs |
Definition at line 335 of file structures.h.
Referenced by AtomSignature(), dumpbench(), DihedralElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().
int AtomSignature::gromacsPairCnt |
Definition at line 331 of file structures.h.
Referenced by AtomSignature(), GromacsPairElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::gromacsPairSigs |
Definition at line 339 of file structures.h.
Referenced by AtomSignature(), GromacsPairElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().
int AtomSignature::improperCnt |
Definition at line 328 of file structures.h.
Referenced by AtomSignature(), dumpbench(), ImproperElem::getTupleInfo(), operator=(), operator==(), and ParallelIOMgr::updateMolInfo().
TupleSignature* AtomSignature::improperSigs |
Definition at line 336 of file structures.h.
Referenced by AtomSignature(), dumpbench(), ImproperElem::getTupleInfo(), operator=(), ParallelIOMgr::updateMolInfo(), and ~AtomSignature().