Remove warning for using categorical units to plot a list of strings for histogram generation

bobleesj / cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/

https://bobleesj.github.io/cifkit/

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Remove warning for using categorical units to plot a list of strings for histogram generation #11

Closed bobleesj closed 1 month ago

bobleesj commented 1 month ago

Checklist

[x] Are you using the latest stable version?

Describe the bug

For the histogram generations with coordination numbers, the following warning should be removed.

2024-07-06 11:31:18,905 - INFO - Using categorical units to plot a list of strings that are all parsable as floats or dates. If these strings should be plotted as numbers, cast to the appropriate data type before plotting.
2024-07-06 11:31:18,905 - INFO - Using categorical units to plot a list of strings that are all parsable as floats or dates. If these strings should be plotted as numbers, cast to the appropriate data type before plotting.

bobleesj commented 1 month ago

The coordination number x-axis should be integer values.

Furthermore, how is it possible to have such a low value CN value of around 3? I need to investigate this.

bobleesj commented 1 month ago

For the histogram generations with coordination numbers, the following warning should be removed.

This is fixed in 1.0.2

Furthermore, how is it possible to have such a low value CN value of around 3? I need to investigate this.

This is not yet discussed.

bobleesj commented 1 month ago

# y-axis
plt.gca().yaxis.set_major_locator(MaxNLocator(integer=True))

# x-axis
int_keys = sorted(map(int, keys))
plt.xticks(
range(min(int_keys), max(int_keys) + 1)
)
plt.gca().xaxis.set_major_locator(MaxNLocator(integer=True))

x- and y-axis integer problem is fixed in 1.0.2.