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Chemical Data Processing Library Python API - Version 1.4.0
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Chemical Data Processing Library Python API - Version 1.4.0
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Default implementation of the Chem.Bond interface. More...
Inheritance diagram for CDPL.Chem.BasicBond:Public Member Functions | |
| Bond | assign (Bond bond) |
| Assignment operator that replaces the current set of properties with the properties of bond. More... | |
| BasicBond | assign (BasicBond bond) |
| Assignment operator that replaces the current set of properties with the properties of bond. More... | |
| Public Member Functions inherited from CDPL.Chem.Bond | |
| None | __init__ () |
Contructs the Bond instance. | |
| Atom | getNeighbor (Atom atom) |
| Returns the connected neighbor of the argument atom. More... | |
| Atom | getBegin () |
| Returns the start atom of the bond. More... | |
| Atom | getEnd () |
| Returns the end atom of the bond. More... | |
| Molecule | getMolecule () |
| Returns the parent molecule. More... | |
| int | getIndex () |
| Returns the index of the bond in its parent molecule. More... | |
| AtomSequence | getAtoms () |
| Atom | getAtom (int idx) |
| Returns the atom at index idx. More... | |
| bool | containsAtom (Atom atom) |
| Tells whether the bond is incident to the specified atom. More... | |
| int | getAtomIndex (Atom atom) |
| Returns the index of the specified atom. More... | |
| int | getNumAtoms () |
| Returns the number of atoms connected by the bond. More... | |
| None | orderAtoms (BoolAtom2Functor func) |
| Orders the atoms according to criteria implemented by the provided atom comparison function. More... | |
| Entity3D | getEntity (int idx) |
| Returns the entity at index idx. More... | |
| int | getNumEntities () |
| Returns the number of stored Chem.Entity3D instances. More... | |
| Base.Any | __getitem__ (Base.LookupKey key) |
| bool | __contains__ (Base.LookupKey key) |
Returns the result of the membership test operation key in self. More... | |
| bool | __contains__ (Atom atom) |
Returns the result of the membership test operation atom in self. More... | |
| None | __setitem__ (Base.LookupKey key, Base.Any val) |
| bool | __delitem__ (Base.LookupKey key) |
| int | __len__ () |
| Returns the number of property entries. More... | |
| 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.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_val) |
| Returns the value of the property specified by key , or the default value def_val if an entry does not exist. More... | |
| list | getPropertyKeys () |
| Returns a list containing the keys of the current property entries. More... | |
| list | getPropertyValues () |
| Returns a list containing the values of the current property entries. More... | |
| list | getProperties () |
| Returns a reference to itself. More... | |
| None | setProperty (LookupKey key, Any val) |
| Sets the value of the property specified by key to val. More... | |
| bool | removeProperty (LookupKey key) |
| Removes the entry for 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 () |
| Erases all container entries. | |
| None | addProperties (PropertyContainer cntnr) |
Adds the property entries of the PropertyContainer instance cntnr. More... | |
| None | copyProperties (PropertyContainer cntnr) |
| Replaces the current property entries by a copy of the entries in cntnr. More... | |
| None | swap (PropertyContainer cntnr) |
| Exchanges the property entries of this container with the ones of cntnr. More... | |
| Any | __getitem__ (LookupKey key) |
| Returns the value of the property specified by key. More... | |
| bool | __contains__ (LookupKey key) |
| Tells whether or not a value has been assigned to the property specified by key. More... | |
| None | __setitem__ (LookupKey key, Any val) |
| Sets the value of the property specified by key to val. More... | |
| bool | __delitem__ (LookupKey key) |
| Removes the entry for the property specified by key. More... | |
Additional Inherited Members | |
| Properties inherited from CDPL.Chem.Bond | |
| begin = property(getBegin) | |
| end = property(getEnd) | |
| molecule = property(getMolecule) | |
| index = property(getIndex) | |
| atoms = property(getAtoms) | |
| 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.Base.PropertyContainer | |
| objectID = property(getObjectID) | |
| propertyKeys = property(getPropertyKeys) | |
| propertyValues = property(getPropertyValues) | |
| properties = property(getProperties) | |
| numProperties = property(getNumProperties) | |
Default implementation of the Chem.Bond interface.
Instances of BasicBond are created, owned and managed exclusively by a Chem.BasicMolecule instance and reference two Chem.BasicAtom instances that represent the bonded atoms.
Assignment operator that replaces the current set of properties with the properties of bond.
| bond | The bond whose properties get copied. |
Reimplemented from CDPL.Chem.Bond.
1.9.1