casm.project.Selection

class casm.project.Selection(proj=None, path='MASTER', type='config', all=True)[source]

A Selection object contains information about a CASM project

proj

the CASM project the selection belongs to

Type:

casm.Project, optional, default=Project containing the current working directory

path

path to selection file, or “MASTER” (Default=”MASTER”)

Type:

string, optional, default=”MASTER”

type

type of selected object: “config” or “scel”

Type:

string, optional, default=”config”

all

if True, self.data will include all configurations, whether selected or not. If False, only selected configurations will be included.

Type:

bool, optional, default=True

data

A pandas.DataFrame describing the selected configurations. Has at least ‘configname’ and ‘selected’ (automatically converted to bool) columns.

Type:

pandas.DataFrame

Construct a CASM Project representation.

Parameters:

  • proj (casm.Project, optional, default=Project containing the current working directory) – the CASM project the selection belongs to

  • path (string, optional, default="MASTER") – path to selection file, or “MASTER” (Default=”MASTER”)

  • type (string, optional, default="config") – type of selected object: “config” or “scel”

  • all (bool, optional, default=True) – if True, self.data will include all configurations, whether selected or not. If False, only selected configurations will be included.

__init__(proj=None, path='MASTER', type='config', all=True)[source]

Construct a CASM Project representation.

Parameters:

  • proj (casm.Project, optional, default=Project containing the current working directory) – the CASM project the selection belongs to

  • path (string, optional, default="MASTER") – path to selection file, or “MASTER” (Default=”MASTER”)

  • type (string, optional, default="config") – type of selected object: “config” or “scel”

  • all (bool, optional, default=True) – if True, self.data will include all configurations, whether selected or not. If False, only selected configurations will be included.

Methods

__init__([proj, path, type, all])

Construct a CASM Project representation.

add_data(name[, data, force])

Add selection data, either by query or from an existing DataFrame

astype(columnname, dtype)

Convert a column to another type

query(columns[, force, verbose])

Query requested columns and store them in 'data'.

save([data, force])

Save the current selection.

saveas([path, force])

Create a new Selection from this one, save and return it

write_pos([all])

Write POS file for selected configurations

Attributes

data

Get Selection data as a pandas.DataFrame