Data Structures |
| struct | sVparam_AtomData |
| | AtomData sub-class; stores atom data. More...
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| struct | Vparam_ResData |
| | ResData sub-class; stores residue data. More...
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| struct | Vparam |
| | Reads and assigns charge/radii parameters. More...
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Files |
| file | vparam.h |
| | Contains declarations for class Vparam.
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| file | vparam.c |
| | Class Vparam methods.
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Typedefs |
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typedef struct sVparam_AtomData | Vparam_AtomData |
| | Declaration of the Vparam_AtomData class as the sVparam_AtomData structure.
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typedef struct Vparam_ResData | Vparam_ResData |
| | Declaration of the Vparam_ResData class as the Vparam_ResData structure.
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typedef struct Vparam | Vparam |
| | Declaration of the Vparam class as the Vparam structure.
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Functions |
| VEXTERNC unsigned long int | Vparam_memChk (Vparam *thee) |
| | Get number of bytes in this object and its members.
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| VEXTERNC Vparam_AtomData * | Vparam_AtomData_ctor () |
| | Construct the object.
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| VEXTERNC int | Vparam_AtomData_ctor2 (Vparam_AtomData *thee) |
| | FORTRAN stub to construct the object.
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| VEXTERNC void | Vparam_AtomData_dtor (Vparam_AtomData **thee) |
| | Destroy object.
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| VEXTERNC void | Vparam_AtomData_dtor2 (Vparam_AtomData *thee) |
| | FORTRAN stub to destroy object.
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| VEXTERNC void | Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest) |
| | Copy current atom object to destination.
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| VEXTERNC void | Vparam_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest) |
| | Copy current residue object to destination.
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| VEXTERNC void | Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src) |
| | Copy current atom object from another.
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| VEXTERNC Vparam_ResData * | Vparam_ResData_ctor (Vmem *mem) |
| | Construct the object.
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| VEXTERNC int | Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem) |
| | FORTRAN stub to construct the object.
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| VEXTERNC void | Vparam_ResData_dtor (Vparam_ResData **thee) |
| | Destroy object.
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| VEXTERNC void | Vparam_ResData_dtor2 (Vparam_ResData *thee) |
| | FORTRAN stub to destroy object.
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| VEXTERNC Vparam * | Vparam_ctor () |
| | Construct the object.
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| VEXTERNC int | Vparam_ctor2 (Vparam *thee) |
| | FORTRAN stub to construct the object.
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| VEXTERNC void | Vparam_dtor (Vparam **thee) |
| | Destroy object.
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| VEXTERNC void | Vparam_dtor2 (Vparam *thee) |
| | FORTRAN stub to destroy object.
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| VEXTERNC Vparam_ResData * | Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN]) |
| | Get residue data.
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| VEXTERNC Vparam_AtomData * | Vparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN]) |
| | Get atom data.
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| VEXTERNC int | Vparam_readFlatFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| | Read a flat-file format parameter database.
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| VEXTERNC int | Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| | Read an XML format parameter database.
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| VPRIVATE int | readFlatFileLine (Vio *sock, Vparam_AtomData *atom) |
| | Read a single line of the flat file database.
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| VPRIVATE int | readXMLFileAtom (Vio *sock, Vparam_AtomData *atom) |
| | Read atom information from an XML file.
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Variables |
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VPRIVATE char * | MCwhiteChars = " =,;\t\n\r" |
| | Whitespace characters for socket reads.
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VPRIVATE char * | MCcommChars = "#%" |
| | Comment characters for socket reads.
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VPRIVATE char * | MCxmlwhiteChars = " =,;\t\n\r<>" |
| | Whitespace characters for XML socket reads.
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Reads and assigns charge/radii parameters.