Commit 48a05e29 authored by Fabrice Allain's avatar Fabrice Allain
Browse files

fix: solve conflict issue between pdbqual and setup config parameters

parent a8d66dc6
......@@ -36,7 +36,7 @@ default_cutoff: 8.0
;ca_ca:
;cb_cb:
;sc_sc:
bool
[setup]
; ------------------------------ TBL parameters ------------------------------ #
; longrange_hb : True, False [False]
......@@ -209,7 +209,7 @@ prosa_enabled: yes
whatif_executable:
whatif_enabled: yes
clashlist_executable:
clahlist_enabled: no
clashlist_enabled: no
pickle_output: no
; --------------------------- Iteration parameters --------------------------- #
; /!\ Parameters below can be formatted as a list if we want different values
......@@ -266,7 +266,6 @@ L:
[pdbqual]
trash_directory: /tmp
prosa: False
skip_prefix: fitted
csh_executable: csh
......
......@@ -32,15 +32,15 @@ class AriaEcPdbqual(CommandProtocol):
runChecks(
workingDirectory=self.settings.pdbqual["output_directory"],
trashDirectory=self.settings.pdbqual["trash_directory"],
procheckExe=self.settings.main.get("procheck_executable", "procheck"),
procheckOnOff=1 if self.settings.main.get("procheck_enabled", "no") in ("yes", True, "True") else 0,
whatIfExe=self.settings.main.get("whatif_executable", "whatif"),
whatifOnOff=1 if self.settings.main.get("whatif_enabled", "no") in ("yes", True, "True") else 0,
clashlistExe=self.settings.main.get("clashlist_executable", "clashlist"),
clashlistOnOff=1 if self.settings.main.get("clashlist_enabled", "no") in ("yes", True, "True") else 0,
prosaExe=self.settings.main.get("prosa_executable", "prosa"),
prosaOnOff=1 if self.settings.pdbqual.get("prosa_enabled", "no") in ("yes", True, "True") else 0,
cshExe=self.settings.pdbqual.get("csh_executable", "csh"),
procheckExe=self.settings.setup["procheck_executable"],
procheckOnOff=1 if self.settings.setup["procheck_enabled"] in ("yes", True, "True") else 0,
whatIfExe=self.settings.setup["whatif_executable"],
whatifOnOff=1 if self.settings.setup["whatif_enabled"] in ("yes", True, "True") else 0,
clashlistExe=self.settings.setup["clashlist_executable"],
clashlistOnOff=1 if self.settings.setup["clashlist_enabled"] in ("yes", True, "True") else 0,
prosaExe=self.settings.setup["prosa_executable"] if self.settings.main["prosa_executable"] else "",
prosaOnOff=1 if self.settings.setup["prosa_enabled"] in ("yes", True, "True") else 0,
cshExe=self.settings.pdbqual["csh_executable"],
howManyPdb=len(self.settings.pdbqual["infiles"]),
verbose=1,
fileList=self.settings.pdbqual["infiles"],
......
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