2.7.3. prismatique.scan.pattern_type

pattern_type(scan_config=None, skip_validation_and_conversion=False)

The scan pattern type of a given probe scan pattern.

Parameters:

scan_configarray_like (float, shape=(num_positions, 2)) | prismatique.scan.rectangular.Params | str | None, optional

If scan_config is a real-valued two-column matrix, then it specifies a set of probe positions, where scan_config[i][0] and scan_config[i][1] specify respectively the \(x\)- and \(y\)-coordinates of the probe position indexed by i, in units of angstroms, with 0<=i<num_positions and num_positions being the number of probe positions. If scan_config is of the type prismatique.scan.rectangular.Params, then it specifies a rectangular grid-like pattern of probe positions. See the documentation for this class for more details. If scan_config is a string, then scan_config is a path to a file that specifies a set of probe positions. The file must be encoded as ASCII text (UTF-8). The file should be formatted as follows: the first line can be whatever header the user desires, i.e. the first line is treated as a comment; each subsequent line except for the last is of the form “x y”, where “x” and “y” are the \(x\)- and \(y\)-coordinates of a probe position, in units of angstroms; and the last line in the file should be “-1”.

Since periodic boundaries conditions (PBCs) are assumed in the \(x\)- and \(y\)-dimensions, \(x\)- and \(y\)-coordinates can take on any real numbers. If scan_config is set to None, [i.e. the default value], then the probe is to be scanned across the entire unit cell of the simulation, in steps of 0.25 angstroms in both the \(x\)- and \(y\)-directions.

skip_validation_and_conversionbool, optional

If skip_validation_and_conversion is set to False, then validations and conversions are performed on the above parameters.

Otherwise, if skip_validation_and_conversion is set to True, no validations and conversions are performed on the above parameters. This option is desired primarily when the user wants to avoid potentially expensive validation and/or conversion operations.

Returns:

scan_pattern_type“rectangular grid” | “jittered rectangular grid” | “no underlying rectangular grid”

If scan_pattern_type=="rectangular_grid", then the probe positions making up the scan pattern lie exactly on a regular rectangular grid. If scan_pattern_type=="jittered rectangular grid", then the set of probe positions making up the scan pattern lie is equal to the set of positions obtained by generating an underlying rectangular grid to which a random positional deviation is applied to each point. In this case, the pattern is irregular but rectangular grid-like. If scan_pattern_type=="no underlying rectangular grid", then the scan pattern is irregular and not rectangular grid-like, i.e. this case is different from the previous two.