Chemical Data Processing Library Python API - Version 1.1.1
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Classes | |
class | Entry |
Public Member Functions | |
None | __init__ () |
Initializes the MMFF94SymbolicAtomTypePatternTable instance. | |
None | __init__ (MMFF94SymbolicAtomTypePatternTable table) |
Initializes a copy of the MMFF94SymbolicAtomTypePatternTable instance table. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
None | addEntry (Chem.MolecularGraph ptn, str sym_type, bool fallback) |
None | removeEntry (int idx) |
Entry | getEntry (int idx) |
None | clear () |
int | getNumEntries () |
list | getEntries () |
None | load (Base.IStream is) |
None | loadDefaults () |
MMFF94SymbolicAtomTypePatternTable | assign (MMFF94SymbolicAtomTypePatternTable table) |
Replaces the current state of self with a copy of the state of the MMFF94SymbolicAtomTypePatternTable instance table. More... | |
Static Public Member Functions | |
None | set (MMFF94SymbolicAtomTypePatternTable table) |
MMFF94SymbolicAtomTypePatternTable | get () |
Properties | |
objectID = property(getObjectID) | |
numEntries = property(getNumEntries) | |
entries = property(getEntries) | |
None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.__init__ | ( | MMFF94SymbolicAtomTypePatternTable | table | ) |
Initializes a copy of the MMFF94SymbolicAtomTypePatternTable instance table.
table | The MMFF94SymbolicAtomTypePatternTable instance to copy. |
int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python MMFF94SymbolicAtomTypePatternTable 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 MMFF94SymbolicAtomTypePatternTable 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.MMFF94SymbolicAtomTypePatternTable.addEntry | ( | Chem.MolecularGraph | ptn, |
str | sym_type, | ||
bool | fallback | ||
) |
ptn | |
sym_type | |
fallback |
None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.removeEntry | ( | int | idx | ) |
idx |
Entry CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getEntry | ( | int | idx | ) |
idx |
int CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getNumEntries | ( | ) |
list CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.getEntries | ( | ) |
None CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.load | ( | Base.IStream | is | ) |
is |
MMFF94SymbolicAtomTypePatternTable CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.assign | ( | MMFF94SymbolicAtomTypePatternTable | table | ) |
Replaces the current state of self with a copy of the state of the MMFF94SymbolicAtomTypePatternTable instance table.
table | The MMFF94SymbolicAtomTypePatternTable instance to copy. |
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static |
table |
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static |
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