AlphaCristobalit¶

class porems.pattern.AlphaCristobalit¶

This class defines the minimal structure of a \(\alpha\)-cristobalite molecule.

Methods

`_block`(dim, block)	Recursively duplicate and translate a given molecule block in all given dimensions.
`_orientation`(orient)	Rotate pore orientation, so that the specified axis becomes the z-axis.
`generate`(size, orient)	Generate full block structure.
`get_block`()	Return the generated molecule object.
`get_gap`()	Return the gap between the pore block and the box edge in all dimensions.
`get_orient`()	Return the orientation of the block.
`get_repeat`()	Return the repeat distances in all dimensions.
`get_size`()	Return the size of the generated block structure.
`pattern`()	Construct minimal block structure.