Constructor(strings)
bigsmiles.constructors.constructor_str.add_atom_str(parent, symbol)
¶
appends an Atom
to the end of the parent
PARAMETER | DESCRIPTION |
---|---|
parent |
parent Atom will be added to
TYPE:
|
symbol |
atom symbol - will be parsed into symbol, isotope, charge, etc.
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns same parent that was provided
TYPE:
|
bigsmiles.constructors.constructor_str.add_bonding_descriptor_atom_str(parent, bd_symbol, bond_symbol=None)
¶
appends an BondDescriptorAtom
to the end of the parent
PARAMETER | DESCRIPTION |
---|---|
parent |
parent that the BondDescriptorAtom will be added to
TYPE:
|
bd_symbol |
bonding descriptor symbol - will be parsed into symbol, index
TYPE:
|
bond_symbol |
bond symbol ("", "=", "#", etc.)
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns same parent that was provided
TYPE:
|
bigsmiles.constructors.constructor_str.add_bond_atom_pair_str(parent, bond_symbol, atom_symbol)
¶
appends an Bond
followed by an 'Atom' to the end of the parent
PARAMETER | DESCRIPTION |
---|---|
parent |
parent that the Bond and Atom will be added to
TYPE:
|
bond_symbol |
bond symbol ("", "=", "#", etc.)
TYPE:
|
atom_symbol |
atom symbol - will be parsed into symbol, isotope, charge, etc.
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns same parent that was provided
TYPE:
|
bigsmiles.constructors.constructor_str.add_bond_bonding_descriptor_pair_str(parent, bond_symbol, bd_symbol)
¶
appends an Bond
followed by an 'BondDescriptorAtom' to the end of the parent
PARAMETER | DESCRIPTION |
---|---|
parent |
parent that the Bond and BondDescriptorAtom will be added to
TYPE:
|
bond_symbol |
bond symbol ("", "=", "#", etc.)
TYPE:
|
bd_symbol |
bonding descriptor symbol - will be parsed into symbol, index
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns same parent that was provided
TYPE:
|
bigsmiles.constructors.constructor_str.open_stochastic_object_fragment_str(parent, bd_symbol)
¶
opens 'StochasticObject' followed by opening 'StochasticFragment'
PARAMETER | DESCRIPTION |
---|---|
parent |
TYPE:
|
bd_symbol |
bonding descriptor symbol - will be parsed into symbol, index
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns parent is stochastic fragment
TYPE:
|
bigsmiles.constructors.constructor_str.open_stochastic_object_str(parent, bd_symbol)
¶
opens 'StochasticObject'
PARAMETER | DESCRIPTION |
---|---|
parent |
TYPE:
|
bd_symbol |
bonding descriptor symbol - will be parsed into symbol, index
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns parent is stochastic object
TYPE:
|
bigsmiles.constructors.constructor_str.open_stochastic_object_fragment_with_bond_str(parent, bond_symbol, bd_symbol)
¶
opens 'StochasticObject' followed by opening 'StochasticFragment'
PARAMETER | DESCRIPTION |
---|---|
parent |
parent of StochasticObject
TYPE:
|
bd_symbol |
bonding descriptor symbol - will be parsed into symbol, index
TYPE:
|
bond_symbol |
bond symbol ("", "=", "#", etc.)
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns parent is StochasticFragment
TYPE:
|
bigsmiles.constructors.constructor_str.close_stochastic_object_str(parent, bd_symbol, bond_symbol)
¶
closes 'StochasticObject' and append it to parent
PARAMETER | DESCRIPTION |
---|---|
parent |
parent of StochasticObject
TYPE:
|
bd_symbol |
bonding descriptor symbol (right side) - will be parsed into symbol, index
TYPE:
|
bond_symbol |
bond symbol ("", "=", "#", etc.)
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent.parent
|
returns parent of StochasticObject |
bigsmiles.constructors.constructor_str.open_stochastic_fragment(parent)
¶
opens 'StochasticFragment'
PARAMETER | DESCRIPTION |
---|---|
parent |
parent of StochasticFragment
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns the freshly opened StochasticFragment
TYPE:
|
bigsmiles.constructors.constructor_str.close_open_stochastic_fragment_str(parent)
¶
closes StochasticFragment
and appends it to 'parent.parent' and opens a new StochasticFragment
PARAMETER | DESCRIPTION |
---|---|
parent |
StochasticFragment to be closed
|
RETURNS | DESCRIPTION |
---|---|
parent
|
returns the freshly opened StochasticFragment
TYPE:
|
bigsmiles.constructors.constructor_str.close_stochastic_fragment_str(parent)
¶
closes StochasticFragment
and appends it to 'parent.parent'
PARAMETER | DESCRIPTION |
---|---|
parent |
StochasticFragment to be closed
TYPE:
|
RETURNS | DESCRIPTION |
---|---|
parent.parent
|
returns the parent.parent |