 |
Chemical Data Processing Library Python API - Version 1.1.1
|
|
Chemical Data Processing Library Python API - Version 1.1.1
|
Inheritance diagram for CDPL.Chem.BasicAtom:Public Member Functions | |
| Atom | assign (Atom atom) |
| Assignment operator that replaces the current set of properties with the properties of atom;. More... | |
| BasicAtom | assign (BasicAtom atom) |
| Assignment operator that replaces the current set of properties with the properties of atom;. More... | |
| Public Member Functions inherited from CDPL.Chem.Atom | |
| None | __init__ () |
| Initializes the Atom instance. | |
| Molecule | getMolecule () |
| Returns a reference to the parent molecule. More... | |
| Bond | getBondToAtom (Atom atom) |
| Returns a reference to the Chem.Bond object that connects this atom to the argument atom. More... | |
| Bond | findBondToAtom (Atom atom) |
| Returns a reference to the Chem.Bond object that connects this atom to the argument atom. More... | |
| int | getIndex () |
| Returns the index of the atom in its parent molecule. More... | |
| object | getAtoms () |
| object | getBonds () |
| Atom | getAtom (int idx) |
| Returns a reference to the connected atom at index idx. More... | |
| bool | containsAtom (Atom atom) |
| Tells whether this atom and the argument atom are connected by a bond. More... | |
| int | getAtomIndex (Atom atom) |
| Returns the index of the specified connected atom. More... | |
| int | getNumAtoms () |
| Returns the number of connected atoms. More... | |
| None | orderAtoms (ForceField.InteractionFilterFunction2 func) |
| Entity3D | getEntity (int idx) |
| int | getNumEntities () |
| Bond | getBond (int idx) |
| Returns a reference to the incident bond at index idx. More... | |
| bool | containsBond (Bond bond) |
| Tells whether the specified bond is incident to this atom. More... | |
| None | orderBonds (BoolBond2Functor func) |
| int | getBondIndex (Bond bond) |
| Returns the index of the specified incident bond. More... | |
| int | getNumBonds () |
| Returns the number of incident bonds. More... | |
| bool | __contains__ (Atom atom) |
Returns the result of the membership test operation atom in self. More... | |
| bool | __contains__ (Bond bond) |
Returns the result of the membership test operation bond in self. More... | |
| bool | __contains__ (Base.LookupKey key) |
Returns the result of the membership test operation key in self. More... | |
| Base.Any | __getitem__ (Base.LookupKey key) |
| None | __setitem__ (Base.LookupKey key, Base.Any value) |
| bool | __delitem__ (Base.LookupKey key) |
| int | __len__ () |
| Public Member Functions inherited from CDPL.Chem.AtomContainer | |
| Atom | __getitem__ (int idx) |
| Public Member Functions inherited from CDPL.Chem.Entity3DContainer | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| Public Member Functions inherited from CDPL.Chem.BondContainer | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| Bond | __getitem__ (int idx) |
| Public Member Functions inherited from CDPL.Base.PropertyContainer | |
| int | getObjectID () |
| Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
| int | getNumProperties () |
| Returns the number of property entries. More... | |
| Any | getPropertyOrDefault (LookupKey key, Any def_value) |
| list | getPropertyKeys () |
| list | getPropertyValues () |
| list | getProperties () |
| Returns a reference to itself. More... | |
| None | setProperty (LookupKey key, Any value) |
| bool | removeProperty (LookupKey key) |
| Clears the value of the property specified by key. More... | |
| Any | getProperty (LookupKey key, bool throw_=False) |
| Returns the value of the property specified by key. More... | |
| bool | isPropertySet (LookupKey key) |
| Tells whether or not a value has been assigned to the property specified by key. More... | |
| None | clearProperties () |
| Clears all property values. | |
| None | addProperties (PropertyContainer cntnr) |
Adds the property value entries in the PropertyContainer instance cntnr. More... | |
| None | copyProperties (PropertyContainer cntnr) |
| Replaces the current set of properties by a copy of the entries in cntnr. More... | |
| None | swap (PropertyContainer cntnr) |
| Exchanges the properties of this container with the properties of the container cntnr. More... | |
| Any | __getitem__ (LookupKey key) |
| bool | __contains__ (LookupKey key) |
Returns the result of the membership test operation key in self. More... | |
| None | __setitem__ (LookupKey key, Any value) |
| bool | __delitem__ (LookupKey key) |
Additional Inherited Members | |
| Properties inherited from CDPL.Chem.Atom | |
| molecule = property(getMolecule) | |
| index = property(getIndex) | |
| atoms = property(getAtoms) | |
| bonds = property(getBonds) | |
| Properties inherited from CDPL.Chem.AtomContainer | |
| numAtoms = property(getNumAtoms) | |
| Properties inherited from CDPL.Chem.Entity3DContainer | |
| objectID = property(getObjectID) | |
| numEntities = property(getNumEntities) | |
| Properties inherited from CDPL.Chem.BondContainer | |
| objectID = property(getObjectID) | |
| numBonds = property(getNumBonds) | |
| Properties inherited from CDPL.Base.PropertyContainer | |
| objectID = property(getObjectID) | |
| propertyKeys = property(getPropertyKeys) | |
| propertyValues = property(getPropertyValues) | |
| properties = property(getProperties) | |
| numProperties = property(getNumProperties) | |
Assignment operator that replaces the current set of properties with the properties of atom;.
| atom | The atom whose properties get copied. |
Reimplemented from CDPL.Chem.Atom.
1.8.20