Chemical Data Processing Library Python API - Version 1.1.1
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Classes | |
class | Entry |
Public Member Functions | |
None | __init__ () |
Initializes the MMFF94OutOfPlaneBendingParameterTable instance. | |
None | __init__ (MMFF94OutOfPlaneBendingParameterTable table) |
Initializes a copy of the MMFF94OutOfPlaneBendingParameterTable instance table. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
None | addEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type, float force_const) |
bool | removeEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type) |
Entry | getEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type) |
None | clear () |
int | getNumEntries () |
list | getEntries () |
None | load (Base.IStream is) |
None | loadDefaults (int param_set) |
MMFF94OutOfPlaneBendingParameterTable | assign (MMFF94OutOfPlaneBendingParameterTable table) |
Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingParameterTable instance table. More... | |
Static Public Member Functions | |
None | set (MMFF94OutOfPlaneBendingParameterTable table, int param_set) |
MMFF94OutOfPlaneBendingParameterTable | get (int param_set) |
Properties | |
objectID = property(getObjectID) | |
numEntries = property(getNumEntries) | |
entries = property(getEntries) | |
None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.__init__ | ( | MMFF94OutOfPlaneBendingParameterTable | table | ) |
Initializes a copy of the MMFF94OutOfPlaneBendingParameterTable instance table.
table | The MMFF94OutOfPlaneBendingParameterTable instance to copy. |
int CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python MMFF94OutOfPlaneBendingParameterTable instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b
thus cannot tell reliably whether the two MMFF94OutOfPlaneBendingParameterTable instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID()
.
None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.addEntry | ( | int | term_atom1_type, |
int | ctr_atom_type, | ||
int | term_atom2_type, | ||
int | oop_atom_type, | ||
float | force_const | ||
) |
term_atom1_type | |
ctr_atom_type | |
term_atom2_type | |
oop_atom_type | |
force_const |
bool CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.removeEntry | ( | int | term_atom1_type, |
int | ctr_atom_type, | ||
int | term_atom2_type, | ||
int | oop_atom_type | ||
) |
term_atom1_type | |
ctr_atom_type | |
term_atom2_type | |
oop_atom_type |
Entry CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getEntry | ( | int | term_atom1_type, |
int | ctr_atom_type, | ||
int | term_atom2_type, | ||
int | oop_atom_type | ||
) |
term_atom1_type | |
ctr_atom_type | |
term_atom2_type | |
oop_atom_type |
int CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getNumEntries | ( | ) |
list CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getEntries | ( | ) |
None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.load | ( | Base.IStream | is | ) |
is |
None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.loadDefaults | ( | int | param_set | ) |
param_set |
MMFF94OutOfPlaneBendingParameterTable CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.assign | ( | MMFF94OutOfPlaneBendingParameterTable | table | ) |
Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingParameterTable instance table.
table | The MMFF94OutOfPlaneBendingParameterTable instance to copy. |
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static |
table | |
param_set |
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static |
param_set |