AngleViolationInfo Class Reference

Public Member Functions
def	__init__
def	ToJSON

Data Fields
	a1
	a2
	a3
	angle
	exp_angle
	std

Detailed Description

Object to hold info on angle violation

Constructor arguments are available as attributes:

* a1 (:class:`ost.mol.AtomHandle`)
* a2 (:class:`ost.mol.AtomHandle`)
* a3 (:class:`ost.mol.AtomHandle`)
* angle (:class:`float`)
* exp_angle (:class:`float`)
* std (:class:`float`)

Definition at line 411 of file stereochemistry.py.

Constructor & Destructor Documentation

def __init__	(		self,
			a1,
			a2,
			a3,
			angle,
			exp_angle,
			std
	)

Definition at line 423 of file stereochemistry.py.

Member Function Documentation

def ToJSON	(		self,
			decimals = 3
	)

Return JSON serializable dict

Atoms are represented by a string in format:
<chain_name>.<resnum>.<resnum_inscode>.<atom_name>

Definition at line 431 of file stereochemistry.py.

Field Documentation

a1

Definition at line 424 of file stereochemistry.py.

a2

Definition at line 425 of file stereochemistry.py.

a3

Definition at line 426 of file stereochemistry.py.

angle

Definition at line 427 of file stereochemistry.py.

exp_angle

Definition at line 428 of file stereochemistry.py.

std

Definition at line 429 of file stereochemistry.py.

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

• build-2.7-doc/stage/lib64/python3.6/site-packages/ost/mol/alg/stereochemistry.py