Move out call before exit code return when possible

aiidateam · Jan 28, 2022 · 92d7bf3 · 92d7bf3
1 parent 3864bdd
commit 92d7bf3
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Showing 8 changed files with 16 additions and 15 deletions.
diff --git a/aiida_quantumespresso/parsers/dos.py b/aiida_quantumespresso/parsers/dos.py
@@ -14,13 +14,14 @@ class DosParser(BaseParser):
     def parse(self, **kwargs):
         """Parse the retrieved files of a ``DosCalculation`` into output nodes."""
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
+        self._emit_logs(logs_stdout)
+
+        self.out('output_parameters', Dict(dict=parsed_stdout))
 
         for exit_code in ['ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ', 'ERROR_OUTPUT_STDOUT_INCOMPLETE']:
             if exit_code in logs_stdout.error:
                 return self._exit(self.exit_codes.get(exit_code))
 
-        self.out('output_parameters', Dict(dict=parsed_stdout))
-
         # Parse the DOS
         try:
             with self.retrieved.open(self.node.process_class._DOS_FILENAME, 'r') as handle:

diff --git a/aiida_quantumespresso/parsers/matdyn.py b/aiida_quantumespresso/parsers/matdyn.py
@@ -12,6 +12,9 @@ class MatdynParser(BaseParser):
     def parse(self, **kwargs):
         """Parse the retrieved files from a ``MatdynCalculation`` into output nodes."""
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
+        self._emit_logs(logs_stdout)
+
+        self.out('output_parameters', orm.Dict(dict=parsed_stdout))
 
         for exit_code in ['ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ', 'ERROR_OUTPUT_STDOUT_INCOMPLETE']:
             if exit_code in logs_stdout.error:
@@ -48,7 +51,6 @@ def parse(self, **kwargs):
         for message in parsed_data['warnings']:
             self.logger.error(message)
 
-        self.out('output_parameters', orm.Dict(dict=parsed_stdout))
         self.out('output_phonon_bands', output_bands)
 
 

diff --git a/aiida_quantumespresso/parsers/parse_raw/base.py b/aiida_quantumespresso/parsers/parse_raw/base.py
@@ -4,7 +4,7 @@
 
 from aiida.orm import StructureData
 
-__all__ = ('convert_qe_time_to_sec', 'convert_qe2aiida_structure', 'convert_qe_to_kpoints')
+__all__ = ('convert_qe_time_to_sec', 'convert_qe_to_aiida_structure', 'convert_qe_to_kpoints')
 
 
 def convert_qe_time_to_sec(timestr):

diff --git a/aiida_quantumespresso/parsers/pp.py b/aiida_quantumespresso/parsers/pp.py
@@ -51,6 +51,8 @@ def parse(self, **kwargs):
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
         self._emit_logs(logs_stdout)
 
+        self.out('output_parameters', orm.Dict(dict=parsed_stdout))
+
         for exit_code in [
             'ERROR_PARENT_XML_MISSING', 'ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ',
             'ERROR_OUTPUT_STDOUT_INCOMPLETE'
@@ -141,8 +143,6 @@ def get_key_from_filename(filename):
         else:
             self.out('output_data_multiple', dict(data_parsed))
 
-        self.out('output_parameters', orm.Dict(dict=parsed_stdout))
-
     def parse_stdout(self, stdout):
         """Parse the ``stdout`` content of a Quantum ESPRESSO ``pp.x`` calculation.
 

diff --git a/aiida_quantumespresso/parsers/projwfc.py b/aiida_quantumespresso/parsers/projwfc.py
@@ -9,9 +9,7 @@
 from aiida.plugins import OrbitalFactory
 
 from aiida_quantumespresso.parsers import QEOutputParsingError
-from aiida_quantumespresso.parsers.parse_raw.base import (
-    convert_qe_to_aiida_structure, convert_qe_to_kpoints
-)
+from aiida_quantumespresso.parsers.parse_raw.base import (convert_qe_to_aiida_structure, convert_qe_to_kpoints)
 from aiida_quantumespresso.utils.mapping import get_logging_container
 
 from .base import BaseParser

diff --git a/aiida_quantumespresso/parsers/pw2gw.py b/aiida_quantumespresso/parsers/pw2gw.py
@@ -22,12 +22,12 @@ def parse(self, **kwargs):
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
         self._emit_logs(logs_stdout)
 
+        self.out('output_parameters', Dict(dict=parsed_stdout))
+
         for exit_code in ['ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ', 'ERROR_OUTPUT_STDOUT_INCOMPLETE']:
             if exit_code in logs_stdout.error:
                 return self._exit(self.exit_codes.get(exit_code))
 
-        self.out('output_parameters', Dict(dict=parsed_stdout))
-
         self.exit_code_eps = None
         eps = self.parse_eps_files()
 

diff --git a/aiida_quantumespresso/parsers/pw2wannier90.py b/aiida_quantumespresso/parsers/pw2wannier90.py
@@ -16,8 +16,8 @@ def parse(self, **kwargs):
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
         self._emit_logs(logs_stdout)
 
+        self.out('output_parameters', Dict(dict=parsed_stdout))
+
         for exit_code in ['ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ', 'ERROR_OUTPUT_STDOUT_INCOMPLETE']:
             if exit_code in logs_stdout.error:
                 return self._exit(self.exit_codes.get(exit_code))
-
-        self.out('output_parameters', Dict(dict=parsed_stdout))
diff --git a/aiida_quantumespresso/parsers/q2r.py b/aiida_quantumespresso/parsers/q2r.py
@@ -13,12 +13,12 @@ def parse(self, **kwargs):
         parsed_stdout, logs_stdout = self._retrieve_parse_stdout()
         self._emit_logs(logs_stdout)
 
+        self.out('output_parameters', Dict(dict=parsed_stdout))
+
         for exit_code in ['ERROR_OUTPUT_STDOUT_MISSING', 'ERROR_OUTPUT_STDOUT_READ', 'ERROR_OUTPUT_STDOUT_INCOMPLETE']:
             if exit_code in logs_stdout.error:
                 return self._exit(self.exit_codes.get(exit_code))
 
-        self.out('output_parameters', Dict(dict=parsed_stdout))
-
         filename_force_constants = self.node.process_class._FORCE_CONSTANTS_NAME
 
         if filename_force_constants not in self.retrieved.list_object_names():