Package schrodinger :: Package application :: Package matsci :: Module amorphous :: Class BoxWithInnerHull

Class BoxWithInnerHull

object --+    
         |    
       Box --+
             |
            BoxWithInnerHull

A cubic Box object that contains an inner non-cubic region that limits the valid volume for the components to be placed in.

Instance Methods

[hide private]

__init__(self, hull, *args, **kwargs)
Create a BoxWithInnerHull object

bool

isPointInBox(self, point, *args)
Overrides the parent method to check to see if the given point is also inside the hull

bool

isPointInHull(self, point)
Check to see if the point is inside the hull

list

getPointInBox(self, max_attempts=1000)
Overrides the parent class to get a point that is inside the hull rather than just in the box

bool

isValidPoint(self, point)
Overrides the parent method to check to make sure the point is inside the hull

Inherited from Box: getCentroid, getLargestSpan, getMinMax, getTranslationToBox

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

[hide private]

Inherited from Box: AXES, X, Y, Z

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, hull, *args, **kwargs)
(Constructor)

Create a BoxWithInnerHull object

Parameters:

hull (scipy.spatial.Delauney) - The convex hull defining the region of space the components are allowed to be placed in
See parent class for additional documentation

Overrides: object.__init__

isPointInBox(self, point, *args)

Overrides the parent method to check to see if the given point is also inside the hull

Parameters:

point (iterable) - An iterable of length 3 floats that gives the x, y and z values of the point in question

Returns: bool

Whether the point falls within the box

Overrides: Box.isPointInBox

isPointInHull(self, point)

Check to see if the point is inside the hull

Parameters:

point (iterable) - An iterable of length 3 floats that gives the x, y and z values of the point in question

Returns: bool

Whether the point falls within the hull

getPointInBox(self, max_attempts=1000)

Overrides the parent class to get a point that is inside the hull rather than just in the box

Parameters:

max_attempts (int) - Maximum number of attempts to try to find a point that is both inside the box and the hull

Returns: list

List of three floats that give the xyz coordinates of a point in the hull

Raises:

ScaffoldError - If a point can't be found inside the hull

Overrides: Box.getPointInBox

isValidPoint(self, point)

Overrides the parent method to check to make sure the point is inside the hull

Parameters:

point (iterable) - An iterable of length 3 floats that gives the x, y and z values of the point in question

Returns: bool

Whether the point is inside the hull

Overrides: Box.isValidPoint

Class BoxWithInnerHull

__init__(self, hull, *args, **kwargs) (Constructor)

isPointInBox(self, point, *args)

isPointInHull(self, point)

getPointInBox(self, max_attempts=1000)

isValidPoint(self, point)

init(self, hull, *args, **kwargs)
(Constructor)