Chemical Data Processing Library Python API - Version 1.1.1
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Classes | |
class | Entry |
Public Member Functions | |
None | __init__ () |
Initializes the MMFF94FormalAtomChargeDefinitionTable instance. | |
None | __init__ (MMFF94FormalAtomChargeDefinitionTable table) |
Initializes a copy of the MMFF94FormalAtomChargeDefinitionTable instance table. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
None | addEntry (str atom_type, int ass_mode, float charge, str type_list) |
bool | removeEntry (str atom_type) |
Entry | getEntry (str atom_type) |
None | clear () |
int | getNumEntries () |
list | getEntries () |
None | load (Base.IStream is) |
None | loadDefaults () |
MMFF94FormalAtomChargeDefinitionTable | assign (MMFF94FormalAtomChargeDefinitionTable table) |
Replaces the current state of self with a copy of the state of the MMFF94FormalAtomChargeDefinitionTable instance table. More... | |
Static Public Member Functions | |
None | set (MMFF94FormalAtomChargeDefinitionTable table) |
MMFF94FormalAtomChargeDefinitionTable | get () |
Properties | |
objectID = property(getObjectID) | |
numEntries = property(getNumEntries) | |
entries = property(getEntries) | |
None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.__init__ | ( | MMFF94FormalAtomChargeDefinitionTable | table | ) |
Initializes a copy of the MMFF94FormalAtomChargeDefinitionTable instance table.
table | The MMFF94FormalAtomChargeDefinitionTable instance to copy. |
int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python MMFF94FormalAtomChargeDefinitionTable 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 MMFF94FormalAtomChargeDefinitionTable 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()
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None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.addEntry | ( | str | atom_type, |
int | ass_mode, | ||
float | charge, | ||
str | type_list | ||
) |
atom_type | |
ass_mode | |
charge | |
type_list |
bool CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.removeEntry | ( | str | atom_type | ) |
atom_type |
Entry CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getEntry | ( | str | atom_type | ) |
atom_type |
int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getNumEntries | ( | ) |
list CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getEntries | ( | ) |
None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.load | ( | Base.IStream | is | ) |
is |
MMFF94FormalAtomChargeDefinitionTable CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.assign | ( | MMFF94FormalAtomChargeDefinitionTable | table | ) |
Replaces the current state of self with a copy of the state of the MMFF94FormalAtomChargeDefinitionTable instance table.
table | The MMFF94FormalAtomChargeDefinitionTable instance to copy. |
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static |
table |
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static |
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