Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ () |
Initializes the Entry instance. | |
None | __init__ (Entry entry) |
Initializes a copy of the Entry instance entry. More... | |
None | __init__ (str atom_type, int ass_mode, float charge, str type_list) |
Initializes the Entry instance. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
Entry | assign (Entry entry) |
Replaces the current state of self with a copy of the state of the Entry instance entry. More... | |
str | getAtomType () |
int | getAssignmentMode () |
float | getFormalCharge () |
str | getAtomTypeList () |
bool | __nonzero__ () |
bool | __bool__ () |
Properties | |
objectID = property(getObjectID) | |
atomType = property(getAtomType) | |
assignmentMode = property(getAssignmentMode) | |
formalCharge = property(getFormalCharge) | |
atomTypeList = property(getAtomTypeList) | |
None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.__init__ | ( | Entry | entry | ) |
Initializes a copy of the Entry instance entry.
entry | The Entry instance to copy. |
None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.__init__ | ( | str | atom_type, |
int | ass_mode, | ||
float | charge, | ||
str | type_list | ||
) |
Initializes the Entry instance.
atom_type | |
ass_mode | |
charge | |
type_list |
int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python Entry 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 Entry 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()
.
Replaces the current state of self with a copy of the state of the Entry instance entry.
entry | The Entry instance to copy. |
str CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.getAtomType | ( | ) |
int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.getAssignmentMode | ( | ) |
float CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.getFormalCharge | ( | ) |
str CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.getAtomTypeList | ( | ) |
bool CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.__nonzero__ | ( | ) |
bool CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry.__bool__ | ( | ) |