ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki

ASE Manual, Release 3.6.1.2828
log may be an open file or a filename.
set_radii(radii)
Set the atomic radii. Give an array or a single number.
set_rotation(rotation)
Set the rotation angles (in degrees).
update(newatoms=None)
Cause a plot (respecting the interval setting).
update causes a plot to be made. If the interval variable was specified when the plotter was create, it
will only produce a plot with that interval. update takes an optional argument, newatoms, which can
be used to replace the list of atoms with a new one.
7.12.3 FieldPlotter
The FieldPlotter is intended to plot fields defined on the atoms in large-scale simulations. The fields could be e.g.
pressure, stress or temperature (kinetic energy), i.e. any quantity that in a given simulation is best defined on a
per-atom basis, but is best interpreted as a continuum field.
The current version of FieldPlotter only works if the number of atoms is at least 5-10 times larger than the number
of pixels in the plot.
class ase.visualize.fieldplotter.FieldPlotter(atoms, datasource=None, verbose=0,
timing=0, interval=1, initframe=0)
log(message)
logs a message to the file set by set_log.
plot(data=None)
Create a plot now. Does not respect the interval timer.
This method makes a plot unconditionally. It does not look at the interval variable, nor is this plot
taken into account in the counting done by the update() method if an interval variable was specified.
If data is specified, it must be an array of numbers with the same length as the atoms. That data will
then be plotted. If no data is given, the data source specified when creating the plotter is used.
set_background(value)
Set the data value of the background. See also set_background_color
Set the value of the background (parts of the plot without atoms) to a specific value, or to ‘min’ or
‘max’ representing the minimal or maximal data values on the atoms.
Calling set_background cancels previous calls to set_background_color.
set_background_color(color)
Set the background color. See also set_background.
Set the background color. Use a single value in the range [0, 1[ for gray values, or a tuple of three such
values as an RGB color.
Calling set_background_color cancels previous calls to set_background.
set_black_white_colors(reverse=False)
Set the color to Black-White (greyscale)
set_color_function(colors)
Set a color function, to be used to color the atoms.
set_data_range(range1, range2=None)
Set the range of the data used when coloring.
This function sets the range of data values mapped unto colors in the final plot.
Three possibilities:
106 Chapter 7. Documentation for modules in ASE