src.Mol2.mol2_bond Class Reference

This is to manage mol2 bond lines on the form: 1 1 2 ar. More...

Inheritance diagram for src.Mol2.mol2_bond:

Collaboration diagram for src.Mol2.mol2_bond:

Public Member Functions
def	__init__ (self, data=None)
	if data is passed, it will be installed More...
def	__repr__ (self)
def	parse (self, data)
	split the text line into a series of properties More...
def	set_bond_id (self, bond_id=None)
	bond identifier (integer, starting from 1) More...
def	set_origin_atom_id (self, origin_atom_id=None)
	the origin atom identifier (integer) More...
def	set_target_atom_id (self, target_atom_id=None)
	the target atom identifier (integer) More...
def	set_bond_type (self, bond_type=None)
	bond type (string) one of: 1 = single 2 = double 3 = triple am = amide ar = aromatic du = dummy un = unknown nc = not connected More...
def	set_status_bit (self, status_bit=None)
	Never to use (in theory) More...

Public Attributes
	bond_id
	origin_atom_id
	target_atom_id
	bond_type
	status_bit

Detailed Description

This is to manage mol2 bond lines on the form: 1 1 2 ar.

Definition at line 175 of file Mol2.py.

Constructor & Destructor Documentation

__init__()

def src.Mol2.mol2_bond.__init__	(		self,
			data = None
	)

if data is passed, it will be installed

Definition at line 180 of file Mol2.py.

Member Function Documentation

__repr__()

def src.Mol2.mol2_bond.__repr__

(

self

)

Definition at line 189 of file Mol2.py.

parse()

def src.Mol2.mol2_bond.parse	(		self,
			data
	)

split the text line into a series of properties

Definition at line 200 of file Mol2.py.

Here is the call graph for this function:

set_bond_id()

def src.Mol2.mol2_bond.set_bond_id	(		self,
			bond_id = None
	)

bond identifier (integer, starting from 1)

Definition at line 217 of file Mol2.py.

set_bond_type()

def src.Mol2.mol2_bond.set_bond_type	(		self,
			bond_type = None
	)

bond type (string) one of: 1 = single 2 = double 3 = triple am = amide ar = aromatic du = dummy un = unknown nc = not connected

Definition at line 253 of file Mol2.py.

set_origin_atom_id()

def src.Mol2.mol2_bond.set_origin_atom_id	(		self,
			origin_atom_id = None
	)

the origin atom identifier (integer)

Definition at line 226 of file Mol2.py.

set_status_bit()

def src.Mol2.mol2_bond.set_status_bit	(		self,
			status_bit = None
	)

Never to use (in theory)

Definition at line 262 of file Mol2.py.

set_target_atom_id()

def src.Mol2.mol2_bond.set_target_atom_id	(		self,
			target_atom_id = None
	)

the target atom identifier (integer)

Definition at line 235 of file Mol2.py.

Member Data Documentation

bond_id

src.Mol2.mol2_bond.bond_id

Definition at line 181 of file Mol2.py.

bond_type

src.Mol2.mol2_bond.bond_type

Definition at line 184 of file Mol2.py.

origin_atom_id

src.Mol2.mol2_bond.origin_atom_id

Definition at line 182 of file Mol2.py.

status_bit

src.Mol2.mol2_bond.status_bit

Definition at line 209 of file Mol2.py.

target_atom_id

src.Mol2.mol2_bond.target_atom_id

Definition at line 183 of file Mol2.py.

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The documentation for this class was generated from the following file:

• Mol2.py