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lines changed Original file line number Diff line number Diff line change @@ -41,7 +41,6 @@ def test_feff_input_sets(self):
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"nkpts" : 1000 ,
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"radius" : 10.0 ,
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"user_tag_settings" : {},
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- "structure" : self .struct .as_dict (),
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}
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ans_fis_fw2 = {
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"@class" : "MPEXAFSSet" ,
@@ -51,13 +50,14 @@ def test_feff_input_sets(self):
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"nkpts" : 1000 ,
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"radius" : 10.0 ,
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"user_tag_settings" : {"CONTROL" : "0 0 0 0 1 1" , "PRINT" : "0 0 0 1 0 3" },
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- "structure" : self .struct .as_dict (),
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}
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fis_fw1 = self .fw1_dict ["spec" ]["_tasks" ][0 ]["feff_input_set" ]
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fis_fw2 = self .fw2_dict ["spec" ]["_tasks" ][1 ]["feff_input_set" ]
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fis_fw1 .pop ("@version" )
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fis_fw2 .pop ("@version" )
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+ fis_fw1 .pop ("structure" )
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+ fis_fw2 .pop ("structure" )
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self .assertDictEqual (fis_fw1 , ans_fis_fw1 )
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self .assertDictEqual (fis_fw2 , ans_fis_fw2 )
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