Louis BECQUEY

Renamed some descriptors to match the paper

......@@ -397,7 +397,7 @@ class Chain:
df['paired'] = paired
df['pair_type_LW'] = pair_type_LW
df['pair_type_DSSR'] = pair_type_DSSR
df['Ninteract'] = interacts
df['nb_interact'] = interacts
df = df.drop(['C5prime_xyz', 'P_xyz', 'nt_id'], axis=1) # remove now useless descriptors
if self.reversed:
......@@ -545,7 +545,7 @@ class Chain:
point[9,i] = temp_freqs[3, i]
point[10,i] = temp_freqs[4, i]
self.data = pd.concat([self.data, pd.DataFrame(point.T, columns=["position","is_A","is_C","is_G","is_U","is_other","freq_A","freq_C","freq_G","freq_U","freq_other"])], axis=1)
self.data = pd.concat([self.data, pd.DataFrame(point.T, columns=["nt_position","is_A","is_C","is_G","is_U","is_other","freq_A","freq_C","freq_G","freq_U","freq_other"])], axis=1)
# reorder columns:
cols = [ # 1D structure descriptors
'index_chain','nt_resnum','position',
......@@ -554,7 +554,7 @@ class Chain:
'freq_A','freq_C','freq_G','freq_U','freq_other',
# 2D structure descriptors
'dbn','paired','Ninteract',
'dbn','paired','nb_interact',
'pair_type_LW','pair_type_DSSR',
# 3D strcuture descriptors
......