Commit 4ded341a authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

fixing qhp parser (spacegroup & spurious open section)

parent ede50e20
...@@ -26,7 +26,7 @@ def prep_ref(ref_listP, ref_listS, Emit, kindP, kindS): ...@@ -26,7 +26,7 @@ def prep_ref(ref_listP, ref_listS, Emit, kindP, kindS):
Emit.addValue("calculation_to_calculation_kind", kindP) Emit.addValue("calculation_to_calculation_kind", kindP)
Emit.addValue("calculation_to_calculation_external_url", ref) Emit.addValue("calculation_to_calculation_external_url", ref)
Emit.closeSection("section_calculation_to_calculation_refs", sCalc) Emit.closeSection("section_calculation_to_calculation_refs", sCalc)
sCalc = Emit.openSection("section_calculation_to_calculation_refs") #sCalc = Emit.openSection("section_calculation_to_calculation_refs")
for ref in ref_listS: for ref in ref_listS:
sCalc = Emit.openSection("section_calculation_to_calculation_refs") sCalc = Emit.openSection("section_calculation_to_calculation_refs")
Emit.addValue("calculation_to_calculation_kind", kindS) Emit.addValue("calculation_to_calculation_kind", kindS)
...@@ -39,7 +39,7 @@ def parse(name): ...@@ -39,7 +39,7 @@ def parse(name):
Parse.startedParsingSession(name, parser_info) Parse.startedParsingSession(name, parser_info)
sRun = Parse.openSection("section_run") sRun = Parse.openSection("section_run")
system = Parse.openSection("section_system") system = Parse.openSection("section_system")
Parse.addValue("spacegroup_3D_number", spacegroup) Parse.addValue("x_qhp_space_group_3D_number", spacegroup)
Parse.addValue("x_qhp_formula", material) Parse.addValue("x_qhp_formula", material)
Parse.closeSection("section_system", system) Parse.closeSection("section_system", system)
results = Parse.openSection("section_single_configuration_calculation") results = Parse.openSection("section_single_configuration_calculation")
......
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