mstk.topology.Angle

class mstk.topology.Angle(atom1, atom2, atom3)

A angle between three atoms. The second atom is the central atom.

Parameters:

• atom1 (Atom) –

• atom2 (Atom) –

• atom3 (Atom) –

atom1

Type:

Atom

atom2

Type:

Atom

atom3

Type:

Atom

Methods

__init__(atom1, atom2, atom3)
equals(other)	Check if two angles represent the same connectivity.
evaluate([cell])	Evaluate the value of this angle in unit of radian

Attributes

atoms	The atoms forming this angle
bonds	The two bonds between each side atom and the center atom
name	Name of this angle

equals(other)

Check if two angles represent the same connectivity. Return True if they contain the identical side atoms and center atom, regardless of the sequence of side atoms.

Parameters:

other (Angle) –

Returns:

equal

Return type:

bool

property name

Name of this angle

Returns:

name

Return type:

str

property atoms

The atoms forming this angle

Returns:

atoms

Return type:

tuple of Atom

property bonds

The two bonds between each side atom and the center atom

Returns:

bonds

Return type:

tuple of Bond

evaluate(cell=None)

Evaluate the value of this angle in unit of radian

Parameters:

cell (UnitCell, Optional) –

Returns:

value

Return type:

float