diff --git a/wwpdb/utils/nmr/NmrDpUtility.py b/wwpdb/utils/nmr/NmrDpUtility.py index ccce1e8d7..32352238b 100644 --- a/wwpdb/utils/nmr/NmrDpUtility.py +++ b/wwpdb/utils/nmr/NmrDpUtility.py @@ -9382,7 +9382,6 @@ def __detectContentSubType__(self, file_list_id, input_source, dir_path=None): # increment loop counter of each content subtype for lp_category in self.__lp_category_list: - if lp_category in self.lp_categories[file_type].values(): lp_counts[[k for k, v in self.lp_categories[file_type].items() if v == lp_category][0]] += 1 @@ -38039,7 +38038,10 @@ def __calculateStatsOfDistanceRestraint(self, file_list_id, sf_framecode, lp_dat member_id, chain_id_1, seq_id_1, comp_id_1, atom_id_1, chain_id_2, seq_id_2, comp_id_2, atom_id_2) - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 range_of_vals.append(v) count_of_vals.append(_count) @@ -38320,7 +38322,10 @@ def __calculateStatsOfDistanceRestraint(self, file_list_id, sf_framecode, lp_dat member_id, chain_id_1, seq_id_1, comp_id_1, atom_id_1, chain_id_2, seq_id_2, comp_id_2, atom_id_2) - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 if 0.0 <= v < scale and redundant: @@ -38375,7 +38380,10 @@ def __calculateStatsOfDistanceRestraint(self, file_list_id, sf_framecode, lp_dat member_id, chain_id_1, seq_id_1, comp_id_1, atom_id_1, chain_id_2, seq_id_2, comp_id_2, atom_id_2) - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 range_of_vals.append(v) count_of_vals.append(_count) @@ -39979,7 +39987,10 @@ def __calculateStatsOfDihedralRestraint(self, file_list_id, lp_data, conflict_id chain_id_1, seq_id_1, atom_id_1, chain_id_2, seq_id_2, atom_id_2, chain_id_3, seq_id_3, atom_id_3, chain_id_4, seq_id_4, atom_id_4)[0] - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 if 0.0 <= v < scale and redundant: @@ -40003,7 +40014,10 @@ def __calculateStatsOfDihedralRestraint(self, file_list_id, lp_data, conflict_id chain_id_1, seq_id_1, atom_id_1, chain_id_2, seq_id_2, atom_id_2, chain_id_3, seq_id_3, atom_id_3, chain_id_4, seq_id_4, atom_id_4)[0] - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 range_of_vals.append(v) count_of_vals.append(_count) @@ -40359,7 +40373,10 @@ def __calculateStatsOfRdcRestraint(self, file_list_id, lp_data, conflict_id_set, data_type = self.__getTypeOfRdcRestraint(atom_id_1, atom_id_2) - _count[data_type] += 1 + if data_type in _count: + _count[data_type] += 1 + else: + _count[data_type] = 1 range_of_vals.append(v) count_of_vals.append(_count) @@ -54415,7 +54432,6 @@ def __updateConstraintStats(self): # increment loop counter of each content subtype for lp_category in self.__lp_category_list: - if lp_category in self.lp_categories[file_type].values(): lp_counts[[k for k, v in self.lp_categories[file_type].items() if v == lp_category][0]] += 1