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@@ -9,7 +9,7 @@ from pyclustering.cluster.kmedoids import kmedoids
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from pyclustering.cluster import cluster_visualizer
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from pyclustering.utils import read_sample
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from pyclustering.samples.definitions import FCPS_SAMPLES
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-
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+import matplotlib.pyplot as plt
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class Conformations:
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"""
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@@ -156,31 +156,34 @@ class Conformations:
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x = np.arange(nb_confs)
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y = np.zeros(nb_confs)
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- for i in range(len(clusters_diss)):
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- for j in clusters_diss[i]:
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+ for i in range(len(clusters)):
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+ for j in clusters[i]:
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y[j] = i+1
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color = []
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+ #dict_col = {1:'b',2:'c',3:'',4:'',5:'',6:''}
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for i in y:
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if i == 1:
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color.append('b')
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if i == 2:
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- color.append('c')
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- if i == 3:
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color.append('g')
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- if i == 4:
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+ if i == 3:
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color.append('y')
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- if i == 5:
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+ if i == 4:
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color.append('r')
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+ if i == 5:
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+ color.append('c')
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if i == 6:
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color.append('m')
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- else:
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+ elif i > 6:
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color.append('k')
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plt.bar(x, y, width=1.0, color=color)
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if output_name != None:
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- plt.savefig(output_name)
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+ plt.savefig("results/"+output_name)
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+
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+ plt.close()
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if __name__ == "__main__":
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if len(sys.argv) < 2:
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