From 221646cb32154d90ac5725c1c734e607640bb560 Mon Sep 17 00:00:00 2001 From: yokochi47 Date: Mon, 17 Feb 2025 18:36:41 +0900 Subject: [PATCH] DAOTHER-8905, 9785: Do not remediate spectral peak list in OneDep 'nmr-str2cif-annotate' workflow (revert implementation). The feature is effective in standalone NMR data conversion service and NMR data remediation Phase 2 --- wwpdb/utils/nmr/NmrDpUtility.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/wwpdb/utils/nmr/NmrDpUtility.py b/wwpdb/utils/nmr/NmrDpUtility.py index a746121f..50bd9828 100644 --- a/wwpdb/utils/nmr/NmrDpUtility.py +++ b/wwpdb/utils/nmr/NmrDpUtility.py @@ -7054,13 +7054,13 @@ def op(self, op: str) -> bool: else: self.__remediation_mode = self.__inputParamDict['remediation'] in trueValue - if op == 'nmr-cs-mr-merge': + if has_key_value(self.__inputParamDict, 'internal'): + if isinstance(self.__inputParamDict['internal'], bool): + self.__internal_mode = self.__inputParamDict['internal'] + else: + self.__internal_mode = self.__inputParamDict['internal'] in trueValue - if has_key_value(self.__inputParamDict, 'internal'): - if isinstance(self.__inputParamDict['internal'], bool): - self.__internal_mode = self.__inputParamDict['internal'] - else: - self.__internal_mode = self.__inputParamDict['internal'] in trueValue + if op == 'nmr-cs-mr-merge': self.__remediation_mode = True self.__has_star_chem_shift = True