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

def	ToJSON (self, decimals=3)

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

◆ init()

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

Definition at line 423 of file stereochemistry.py.

Member Function Documentation

◆ ToJSON()

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

a1

Definition at line 424 of file stereochemistry.py.

◆ a2

a2

Definition at line 425 of file stereochemistry.py.

◆ a3

a3

Definition at line 426 of file stereochemistry.py.

◆ angle

angle

Definition at line 427 of file stereochemistry.py.

◆ exp_angle

exp_angle

Definition at line 428 of file stereochemistry.py.

◆ std

std

Definition at line 429 of file stereochemistry.py.

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

build-dev-doc/stage/lib64/python3.9/site-packages/ost/mol/alg/stereochemistry.py

Public Member Functions

Data Fields