Merge branch 'master' of https://github.com/joelvbernier/hexrd

merging edits from APS to local master

Author: Joel Bernier

conda.recipe/meta.yaml

@@ -20,12 +20,14 @@ app:
 
 requirements:
   build:
+    # - nomkl # in case MKL is broken on Linux
     - numpy
     - python
     - setuptools
   run:
     - dill
     - matplotlib
+    # - nomkl # in case MKL is broken on Linux
     - numba
     - numpy
     - progressbar >=2.3

hexrd/cli/fitgrains.py

@@ -63,8 +63,17 @@ def execute(args, parser):
     ch.setFormatter(cf)
     logger.addHandler(ch)
 
+    # ...make this an attribute in cfg?
+    analysis_id = '%s_%s' %(
+        cfgs[0].analysis_name.strip().replace(' ', '-'),
+        cfgs[0].material.active.strip().replace(' ', '-'),
+        )
+    
     # if find-orientations has not already been run, do so:
-    quats_f = os.path.join(cfgs[0].working_dir, 'accepted_orientations.dat')
+    quats_f = os.path.join(
+        cfgs[0].working_dir, 
+        'accepted_orientations_%s.dat' %analysis_id
+        )
     if not os.path.exists(quats_f):
         logger.info("Missing %s, running find-orientations", quats_f)
         logger.removeHandler(ch)

hexrd/fitgrains.py

@@ -67,10 +67,20 @@ def get_job_queue(cfg, ids_to_refine=None):
     except (ValueError, IOError):
         # no estimate available, use orientations and defaults
         logger.info('fitting grains using default initial estimate')
+        
+        # ...make this an attribute in cfg?
+        analysis_id = '%s_%s' %(
+            cfg.analysis_name.strip().replace(' ', '-'),
+            cfg.material.active.strip().replace(' ', '-'),
+            )
+        
         # load quaternion file
         quats = np.atleast_2d(
             np.loadtxt(
-                os.path.join(cfg.working_dir, 'accepted_orientations.dat')
+                os.path.join(
+                    cfg.working_dir, 
+                    'accepted_orientations_%s.dat' %analysis_id
+                    )
                 )
             )
         n_quats = len(quats)