chemcoord.PointGroupOperations

class chemcoord.PointGroupOperations(sch_symbol, operations, tolerance=0.1)[source]

Defines a point group as sequence of symmetry operations.

Parameters:

  • sch_symbol (str) – Schoenflies symbol of the point group.

  • operations (numpy.ndarray) – Initial set of symmetry operations. It is sufficient to provide only just enough operations to generate the full set of symmetries.

  • tolerance (float) – Tolerance to generate the full set of symmetry operations.

__init__(sch_symbol, operations, tolerance=0.1)[source]

Methods

__init__(sch_symbol, operations[, tolerance])

append(object, /)

Append object to the end of the list.

clear()

Remove all items from list.

copy()

Return a shallow copy of the list.

count(value, /)

Return number of occurrences of value.

extend(iterable, /)

Extend list by appending elements from the iterable.

index(value[, start, stop])

Return first index of value.

insert(index, object, /)

Insert object before index.

pop([index])

Remove and return item at index (default last).

remove(value, /)

Remove first occurrence of value.

reverse()

Reverse IN PLACE.

sort(*[, key, reverse])

Sort the list in ascending order and return None.