plot_trans_per_state_vs_time
Plot the number of transitions leading into or out of a given state for each frame in a discrete trajectory as function of time.
Options
- -f
Trajectory file. File containing the discrete trajectory stored as
numpy.ndarray
in the binary.npy
format. The array must be of shape(n, f)
, wheren
is the number of compounds andf
is the number of frames. The shape can also be(f,)
, in which case the array is expanded to shape(1, f)
. All elements of the array must be integers or floats whose fractional part is zero, because they are interpreted as the indices of the states in which a given compound is at a given frame.- -o
Output filename.
- -b
First frame to read from the trajectory. Frame numbering starts at zero. Default:
0
.- -e
Last frame to read from the trajectory. This is exclusive, i.e. the last frame read is actually
END - 1
. A value of-1
means to read the very last frame. Default:-1
.- --every
Read every n-th frame from the trajectory. Default:
1
.- --cumsum
Calculate and plot the cumulative sum of transitions per state over time.
- --fit
Fit the number of transitions leading into or out of the central state by a power law.
- --labels
One label for each state in the discrete trajectory. The labels will be shown in the legend of the plot. If provided, you must give one label for each state. By default the states are numbered consecutively from
MIN_STATE
toMAX_STATE
. Default:None
.- --xlim
Left and right limit of the x-axis in data coordinates. Pass ‘None’ to adjust the limit(s) automatically. Default:
[None, None]
.- --ylim
Lower and upper limit of the y-axis in data coordinates. Pass ‘None’ to adjust the limit(s) automatically. Default:
[None, None]
.- --log
Whether to use a logarithmic scale for the x- and/or y-axis. Default:
[False, False]
.
See also
mdtools.dtrj.trans_per_state_vs_time()
Function that counts the number of transitions leading into or out of a state for each frame in the discrete trajectory
Examples
TODO
Functions
Power law to use as fit function. |