Chemical Data Processing Library Python API - Version 1.1.1
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Classes | |
class | Entry |
Public Member Functions | |
None | __init__ () |
Initializes the MMFF94HeavyToHydrogenAtomTypeMap instance. | |
None | __init__ (MMFF94HeavyToHydrogenAtomTypeMap map) |
Initializes a copy of the MMFF94HeavyToHydrogenAtomTypeMap instance map. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
None | addEntry (str parent_type, str h_atom_type) |
bool | removeEntry (str parent_type) |
object | getEntry (str parent_type) |
None | clear () |
int | getNumEntries () |
list | getEntries () |
None | load (Base.IStream is) |
None | loadDefaults () |
MMFF94HeavyToHydrogenAtomTypeMap | assign (MMFF94HeavyToHydrogenAtomTypeMap map) |
Replaces the current state of self with a copy of the state of the MMFF94HeavyToHydrogenAtomTypeMap instance map. More... | |
Static Public Member Functions | |
None | set (MMFF94HeavyToHydrogenAtomTypeMap map) |
MMFF94HeavyToHydrogenAtomTypeMap | get () |
Properties | |
objectID = property(getObjectID) | |
numEntries = property(getNumEntries) | |
entries = property(getEntries) | |
None CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.__init__ | ( | MMFF94HeavyToHydrogenAtomTypeMap | map | ) |
Initializes a copy of the MMFF94HeavyToHydrogenAtomTypeMap instance map.
map | The MMFF94HeavyToHydrogenAtomTypeMap instance to copy. |
int CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python MMFF94HeavyToHydrogenAtomTypeMap 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 MMFF94HeavyToHydrogenAtomTypeMap 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.MMFF94HeavyToHydrogenAtomTypeMap.addEntry | ( | str | parent_type, |
str | h_atom_type | ||
) |
parent_type | |
h_atom_type |
bool CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.removeEntry | ( | str | parent_type | ) |
parent_type |
object CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getEntry | ( | str | parent_type | ) |
parent_type |
int CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getNumEntries | ( | ) |
list CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.getEntries | ( | ) |
None CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.load | ( | Base.IStream | is | ) |
is |
MMFF94HeavyToHydrogenAtomTypeMap CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.assign | ( | MMFF94HeavyToHydrogenAtomTypeMap | map | ) |
Replaces the current state of self with a copy of the state of the MMFF94HeavyToHydrogenAtomTypeMap instance map.
map | The MMFF94HeavyToHydrogenAtomTypeMap instance to copy. |
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static |
map |
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static |
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