Population¶
Included in QATK.Optimization
- class Population(*args, **kwargs)¶
Internal class to represent a Population of individuals to be used in a CrystalStructurePrediction simulation.
- append(object, /)¶
Append object to the end of the list.
- clear()¶
Remove all items from list.
- configurations()¶
- Returns:
The configuration of each individual.
- Return type:
list of type
BulkConfiguration
- 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.
- fitnesses()¶
- Returns:
The fitness of each individual.
- Return type:
list of type float
- histories()¶
- Returns:
The genetic operation history of each individual. Each entry is a string, and each character represents a genetic operation: “I” is the initial configuration, “P” is promotion, “H” is heredity, “M” is mutation, and “X” is permutation.
- Return type:
list of type str
- index(value, start=0, stop=9223372036854775807, /)¶
Return first index of value.
Raises ValueError if the value is not present.
- insert(index, object, /)¶
Insert object before index.
- internationalSymbols()¶
- Returns:
The international symbol (Hermann-Mauguin notation) of the each configuration in the population.
- Return type:
list of type str
- maxForces()¶
- Returns:
The maximum atomic force on the optimized configuration of each individual.
- Return type:
PhysicalQuantity of type energy per length
- maxStresses()¶
- Returns:
The maximum component of the stress tensor on the optimized configuration of each individual.
- Return type:
PhysicalQuantity of type energy per length**3
- pop(index=-1, /)¶
Remove and return item at index (default last).
Raises IndexError if list is empty or index is out of range.
- remove(value, /)¶
Remove first occurrence of value.
Raises ValueError if the value is not present.
- reverse()¶
Reverse IN PLACE.
- sort(*, key=None, reverse=False)¶
Sort the list in ascending order and return None.
The sort is in-place (i.e. the list itself is modified) and stable (i.e. the order of two equal elements is maintained).
If a key function is given, apply it once to each list item and sort them, ascending or descending, according to their function values.
The reverse flag can be set to sort in descending order.
- uniqueString()¶
Return a unique string representing the state of the object.