Package opendx :: Module main
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Module main

source code

Module containing the functions which interface relax with OpenDX.

Functions [hide private]
 
map(params=None, map_type='Iso3D', spin_id=None, inc=20, lower=None, upper=None, axis_incs=10, file_prefix='map', dir='dx', point=None, point_file='point', remap=None)
Map the space corresponding to the spin identifier and create the OpenDX files.
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run(file_prefix='map', dir='dx', dx_exe='dx', vp_exec=True)
Execute OpenDX.
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Variables [hide private]
  __package__ = 'opendx'

Imports: system, string, isosurface_3D, RelaxError, test_binary


Function Details [hide private]

map(params=None, map_type='Iso3D', spin_id=None, inc=20, lower=None, upper=None, axis_incs=10, file_prefix='map', dir='dx', point=None, point_file='point', remap=None)

source code 

Map the space corresponding to the spin identifier and create the OpenDX files.

Parameters:
  • params ()
  • map_type (str) - The type of map to create. The available options are:
    • 'Iso3D', a 3D isosurface visualisation of the space.
  • spin_id (str) - The spin identification string.
  • inc (int) - The resolution of the plot. This is the number of increments per dimension.
  • lower (None or list of float) - The lower bounds of the space to map. If supplied, this should be a list of floats, its length equal to the number of parameters in the model.
  • upper (None or list of float) - The upper bounds of the space to map. If supplied, this should be a list of floats, its length equal to the number of parameters in the model.
  • axis_incs (int) - The number of tick marks to display in the OpenDX plot in each dimension.
  • file_prefix (str) - The file prefix for all the created files.
  • dir (str or None) - The directory to place the files into.
  • point (None or list of float) - If supplied, a red sphere will be placed at these coordinates.
  • point_file (str or None) - The file prefix for the point output files.
  • remap (None or func) - A function which is used to remap the space. The function should accept the parameter array (list of float) and return an array of equal length (again list of float).

run(file_prefix='map', dir='dx', dx_exe='dx', vp_exec=True)

source code 

Execute OpenDX.

Parameters:
  • file_prefix (str) - The file prefix for all the created files.
  • dir (str or None) - The directory to place the files into.
  • dx_exe (str) - The path to the OpenDX executable file. This can be changed if the binary 'dx' is not located in the system path.
  • vp_exec (bool) - If True, then the OpenDX visual program will be launched.