Data Structures |
struct | sVatom |
| Contains public data members for Vatom class/module. More...
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Files |
file | vatom.h |
| Contains declarations for class Vatom.
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file | vatom.c |
| Class Vatom methods.
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Defines |
#define | VMAX_RECLEN 64 |
| Residue name length.
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Typedefs |
typedef struct sVatom | Vatom |
| Declaration of the Vatom class as the Vatom structure.
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Functions |
VEXTERNC double * | Vatom_getPosition (Vatom *thee) |
| Get atomic position.
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VEXTERNC void | Vatom_setRadius (Vatom *thee, double radius) |
| Set atomic radius.
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VEXTERNC double | Vatom_getRadius (Vatom *thee) |
| Get atomic position.
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VEXTERNC void | Vatom_setPartID (Vatom *thee, int partID) |
| Set partition ID.
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VEXTERNC double | Vatom_getPartID (Vatom *thee) |
| Get partition ID.
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VEXTERNC void | Vatom_setAtomID (Vatom *thee, int id) |
| Set atom ID.
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VEXTERNC double | Vatom_getAtomID (Vatom *thee) |
| Get atom ID.
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VEXTERNC void | Vatom_setCharge (Vatom *thee, double charge) |
| Set atomic charge.
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VEXTERNC double | Vatom_getCharge (Vatom *thee) |
| Get atomic charge.
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VEXTERNC void | Vatom_setEpsilon (Vatom *thee, double epsilon) |
| Set atomic epsilon.
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VEXTERNC double | Vatom_getEpsilon (Vatom *thee) |
| Get atomic epsilon.
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VEXTERNC unsigned long int | Vatom_memChk (Vatom *thee) |
| Return the memory used by this structure (and its contents) in bytes.
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VEXTERNC void | Vatom_setResName (Vatom *thee, char resName[VMAX_RECLEN]) |
| Set residue name.
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VEXTERNC void | Vatom_setAtomName (Vatom *thee, char atomName[VMAX_RECLEN]) |
| Set atom name.
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VEXTERNC void | Vatom_getResName (Vatom *thee, char resName[VMAX_RECLEN]) |
| Retrieve residue name.
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VEXTERNC void | Vatom_getAtomName (Vatom *thee, char atomName[VMAX_RECLEN]) |
| Retrieve atom name.
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VEXTERNC Vatom * | Vatom_ctor () |
| Constructor for the Vatom class.
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VEXTERNC int | Vatom_ctor2 (Vatom *thee) |
| FORTRAN stub constructor for the Vatom class.
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VEXTERNC void | Vatom_dtor (Vatom **thee) |
| Object destructor.
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VEXTERNC void | Vatom_dtor2 (Vatom *thee) |
| FORTRAN stub object destructor.
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VEXTERNC void | Vatom_setPosition (Vatom *thee, double position[3]) |
| Set the atomic position.
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VEXTERNC void | Vatom_copyTo (Vatom *thee, Vatom *dest) |
| Copy information to another atom.
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VEXTERNC void | Vatom_copyFrom (Vatom *thee, Vatom *src) |
| Copy information to another atom.
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Atom class for interfacing APBS with PDB files.