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Merge pull request #57 from ccdc-opensource/hbp_neg_networks_bug_fix
Added or statement to avoid negative networks in landscape NO_JIRA
2 parents 5052978 + 92803cf commit 74a5289

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scripts/hydrogen_bond_propensity/hydrogen_bond_propensity_report.py

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Original file line numberDiff line numberDiff line change
@@ -264,7 +264,7 @@ def hbp_landscape(groups, observed_groups, crystal, directory, work_directory, d
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highest_pairs = obs_pairs
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# Static legend
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if highest_pairs <= 10:
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if highest_pairs <= 10 or obs_pairs < 6:
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for i, colour in enumerate(hbp_colours):
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figure_i = plt.scatter([group.hbond_score for group in groups if len(group.hbonds) == i],
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[abs(group.coordination_score) for group in groups if len(group.hbonds) == i],

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