Files | |
| file | vparam.h |
| Contains declarations for class Vparam. | |
Data Structures | |
| struct | sVparam_AtomData |
| AtomData sub-class; stores atom data. More... | |
| struct | Vparam |
| Reads and assigns charge/radii parameters. More... | |
| struct | Vparam_ResData |
| ResData sub-class; stores residue data. More... | |
Typedefs | |
| typedef sVparam_AtomData | Vparam_AtomData |
| Declaration of the Vparam_AtomData class as the sVparam_AtomData structure. | |
| typedef Vparam_ResData | Vparam_ResData |
| Declaration of the Vparam_ResData class as the Vparam_ResData structure. | |
| typedef Vparam | Vparam |
| Declaration of the Vparam class as the Vparam structure. | |
Functions | |
| unsigned long int | Vparam_memChk (Vparam *thee) |
| Get number of bytes in this object and its members. | |
| Vparam_AtomData * | Vparam_AtomData_ctor () |
| Construct the object. | |
| int | Vparam_AtomData_ctor2 (Vparam_AtomData *thee) |
| FORTRAN stub to construct the object. | |
| void | Vparam_AtomData_dtor (Vparam_AtomData **thee) |
| Destroy object. | |
| void | Vparam_AtomData_dtor2 (Vparam_AtomData *thee) |
| FORTRAN stub to destroy object. | |
| void | Vparam_AtomData_copyTo (Vparam_AtomData *thee, Vparam_AtomData *dest) |
| Copy current atom object to destination. | |
| void | Vparam_AtomData_copyFrom (Vparam_AtomData *thee, Vparam_AtomData *src) |
| Copy current atom object from another. | |
| Vparam_ResData * | Vparam_ResData_ctor (Vmem *mem) |
| Construct the object. | |
| int | Vparam_ResData_ctor2 (Vparam_ResData *thee, Vmem *mem) |
| FORTRAN stub to construct the object. | |
| void | Vparam_ResData_dtor (Vparam_ResData **thee) |
| Destroy object. | |
| void | Vparam_ResData_dtor2 (Vparam_ResData *thee) |
| FORTRAN stub to destroy object. | |
| Vparam * | Vparam_ctor () |
| Construct the object. | |
| int | Vparam_ctor2 (Vparam *thee) |
| FORTRAN stub to construct the object. | |
| void | Vparam_dtor (Vparam **thee) |
| Destroy object. | |
| void | Vparam_dtor2 (Vparam *thee) |
| FORTRAN stub to destroy object. | |
| Vparam_ResData * | Vparam_getResData (Vparam *thee, char resName[VMAX_ARGLEN]) |
| Get residue data. | |
| Vparam_AtomData * | Vparam_getAtomData (Vparam *thee, char resName[VMAX_ARGLEN], char atomName[VMAX_ARGLEN]) |
| Get atom data. | |
| 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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Copy current atom object from another.
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Copy current atom object to destination.
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Construct the object.
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FORTRAN stub to construct the object.
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Destroy object.
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FORTRAN stub to destroy object.
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Construct the object.
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FORTRAN stub to construct the object.
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Destroy object.
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FORTRAN stub to destroy object.
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Get atom data.
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Get residue data.
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Get number of bytes in this object and its members.
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Read a flat-file format parameter database.
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Construct the object.
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FORTRAN stub to construct the object.
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Destroy object.
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FORTRAN stub to destroy object.
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1.3.5