pyRMSD
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CondensedMatrix problem
This does not work:
N = len(elements) new_matrix = CondensedMatrix([1.]((N(N-1)/2))) for i in range(len(elements)-1): e_i = elements[i] for j in range(i+1,len(elements)): e_j = elements[j] new_matrix[i, j] = old_matrix[e_i, e_j] return new_matrix
Probably because of the data returning policy, the condensed matrix can be modified but the returned array is not.