Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ (Entry entry) |
Initializes a copy of the Entry instance entry. More... | |
None | __init__ (Chem.MolecularGraph ptn, str sym_type, bool fallback) |
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... | |
Chem.MolecularGraph | getPattern () |
str | getSymbolicType () |
bool | isFallbackType () |
Properties | |
objectID = property(getObjectID) | |
symbolicType = property(getSymbolicType) | |
pattern = property(getPattern) | |
fallbackType = property(isFallbackType) | |
None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.__init__ | ( | Entry | entry | ) |
Initializes a copy of the Entry instance entry.
entry | The Entry instance to copy. |
None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.__init__ | ( | Chem.MolecularGraph | ptn, |
str | sym_type, | ||
bool | fallback | ||
) |
Initializes the Entry instance.
ptn | |
sym_type | |
fallback |
int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.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. |
Chem.MolecularGraph CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.getPattern | ( | ) |
str CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.getSymbolicType | ( | ) |
bool CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry.isFallbackType | ( | ) |