Files | |
file | vparam.c |
Class Vparam methods. | |
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_ResData_copyTo (Vparam_ResData *thee, Vparam_ResData *dest) |
Copy current residue 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. | |
int | Vparam_readXMLFile (Vparam *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
Read an XML format parameter database. | |
VPRIVATE int | readFlatFileLine (Vio *sock, Vparam_AtomData *atom) |
Read a single line of the flat file database. | |
VPRIVATE int | readXMLFileAtom (Vio *sock, Vparam_AtomData *atom) |
Read atom information from an XML file. | |
Variables | |
VPRIVATE char * | MCwhiteChars = " =,;\t\n\r" |
Whitespace characters for socket reads. | |
VPRIVATE char * | MCcommChars = "#%" |
Comment characters for socket reads. | |
VPRIVATE char * | MCxmlwhiteChars = " =,;\t\n\r<>" |
Whitespace characters for XML socket reads. |
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Read a single line of the flat file database.
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Read atom information from an XML file.
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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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Read an XML format parameter database.
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Copy current residue 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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