BondViolationInfo Class Reference

Public Member Functions
def	__init__
def	ToJSON

Data Fields
	a1
	a2
	length
	exp_length
	std

Detailed Description

Object to hold info on bond violation

Constructor arguments are available as attributes:

* a1 (:class:`ost.mol.AtomHandle`)
* a2 (:class:`ost.mol.AtomHandle`)
* length (:class:`float`)
* exp_length (:class:`float`)
* std (:class:`float`)

Definition at line 380 of file stereochemistry.py.

Constructor & Destructor Documentation

def __init__	(		self,
			a1,
			a2,
			length,
			exp_length,
			std
	)

Definition at line 391 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 398 of file stereochemistry.py.

Field Documentation

a1

Definition at line 392 of file stereochemistry.py.

a2

Definition at line 393 of file stereochemistry.py.

exp_length

Definition at line 395 of file stereochemistry.py.

length

Definition at line 394 of file stereochemistry.py.

std

Definition at line 396 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