update logging statements.

phasecalculator/phasecalculatorcli.py

@@ -33,13 +33,16 @@ import puresolventinformation.information as pureinf
 
 logging.basicConfig()
 LOGGER = logging.getLogger(__name__)
-LOGGER.setLevel(logging.WARN)
+LOGGER.setLevel(logging.INFO)
 
 INFO_LOGGER = logging.getLogger(__name__)
 INFO_LOGGER.setLevel(logging.INFO)
 
+phasecrun.LOGGER.setLevel(logging.INFO)
+phasecrun.phasexmlrun.LOGGER.setLevel(logging.DEBUG)
+
 def main():
-    """Main function run when program called.
+    """Run function when program called.
 
     Returns
     -------
@@ -49,8 +52,11 @@ def main():
     """
     # Create parser
     parser = create_phasecalculator_argparser()
+    LOGGER.info("created porser")
     # parse args
     args = parser.parse_args()
+    LOGGER.info("parsed args:")
+    LOGGER.info(args)
     return process_args(args)
 
 
@@ -104,6 +110,8 @@ def process_phasecalculator(args):
     """
     xml_filename = args.file
     system_collection = read_calculator_xml(xml_filename)
+    LOGGER.info("system collection: ")
+    LOGGER.info(system_collection)
     if args.memreq is not None:
         run_system_collection(system_collection, memory_req=args.memreq)
     else:
@@ -111,7 +119,7 @@ def process_phasecalculator(args):
 
 
 def create_system_collection(args):
-    """Create SystemCollection from input arguments
+    """Create SystemCollection from input arguments.
 
     Parameters
     ----------
@@ -143,7 +151,7 @@ def create_system_collection(args):
 def create_output_inf(
     fgip_output, similarity_output, similarity_output_type, vle_output
 ):
-    """Create OutputInformation
+    """Create OutputInformation.
 
     Parameters
     ----------
@@ -168,7 +176,7 @@ def create_output_inf(
 
 
 def create_runtime_inf(jar_path, scratch_dir, output_dir):
-    """Create RuntimeInformation
+    """Create RuntimeInformation.
 
     Parameters
     ----------

phasecalculator/runners/phasecalculatorrunner.py

@@ -51,14 +51,20 @@ def run_all_analysis(system_info, **kwargs):
     None.
 
     """
+    LOGGER.info("Creating phase and solvent filename lists")
     phase_filename, solvent_list = create_phase_and_solvent_xml_files(
         system_info, **kwargs
     )
+    LOGGER.info("Phase filename: %s", phase_filename)
+    LOGGER.info("Solvent filename list: %s", solvent_list)
     if system_info.calc_vle():
+        LOGGER.info("Running VLE calc")
         run_vle_analysis(system_info, phase_filename, **kwargs)
     if system_info.calc_fgip():
+        LOGGER.info("Running FGIP calc")
         run_fgip_analysis(system_info, solvent_list, **kwargs)
     if system_info.calc_similarity():
+        LOGGER.info("Running similarity calc")
         run_similarity_analysis(system_info, solvent_list, **kwargs)
 
 

phasecalculator/runners/phasexmlcreatorrunner.py

@@ -57,9 +57,12 @@ def create_phase_and_solvent_files(system_info, filestem="system", **kwargs):
     create_scratch_dir(system_info)
     phase_file = None
     solvent_list = None
+    LOGGER.info("System calcs: VLE: %s, FGIP: %s, SIM: %s", system_info.calc_vle(),
+                system_info.calc_fgip(), system_info.calc_similarity())
     if system_info.calc_vle():
         phase_file = create_phase_file(system_info, filestem + "phase", **kwargs)
     if system_info.calc_fgip() or system_info.calc_similarity():
+        LOGGER.info("Creating solvents")
         solvent_list = create_solvent_files(system_info, filestem + "solvent", **kwargs)
     return phase_file, solvent_list
 
@@ -125,6 +128,7 @@ def create_solvent_files(system_info, filestem, **kwargs):
     mole_fractions_by_temp_dict = system_info.get_phase_compositions_by_temperature()
     ssip_filename_list = system_info.get_ssip_file_locations()
     solvent_list = []
+    LOGGER.info("SSIP filename list: %s", ssip_filename_list)
     for temp_info, mole_fraction_dict_list in mole_fractions_by_temp_dict.items():
         solvent_filename = create_solvent_file(
             mole_fraction_dict_list,