public release 2.2.0 - see README.md and CHANGES.md for details

pmsco/calculators/phagen/runner.py

@@ -61,7 +61,7 @@ class PhagenCalculator(AtomicCalculator):
         because PHAGEN generates a lot of files with hard-coded names,
         the function creates a temporary directory for PHAGEN and deletes it before returning.
 
-        @param params: pmsco.project.Params object.
+        @param params: pmsco.project.CalculatorParams object.
             the phase_files attribute is updated with the paths of the scattering files.
 
         @param cluster: pmsco.cluster.Cluster object.
@@ -76,6 +76,8 @@ class PhagenCalculator(AtomicCalculator):
         @return (None, dict) where dict is a list of output files with their category.
             the category is "atomic" for all output files.
         """
+        assert cluster.get_emitter_count() == 1, "PHAGEN cannot handle more than one emitter at a time"
+
         transl = Translator()
         transl.params.set_params(params)
         transl.params.set_cluster(cluster)
@@ -132,6 +134,14 @@ class PhagenCalculator(AtomicCalculator):
                 except IOError:
                     logger.error("error loading phagen cluster file {fi}".format(fi=clufile))
 
+                try:
+                    listfile = outfile + ".list"
+                    report_listfile = os.path.join(prev_wd, output_file + ".phagen.list")
+                    shutil.copy(listfile, report_listfile)
+                    files[report_listfile] = "log"
+                except IOError:
+                    logger.error("error loading phagen list file {fi}".format(fi=listfile))
+
         finally:
             os.chdir(prev_wd)