fixed tests

Jhsmit · Jun 10, 2021 · e0af1cb · e0af1cb
1 parent 68624c4
commit e0af1cb
Show file tree

Hide file tree

Showing 3 changed files with 3 additions and 6 deletions.
diff --git a/pyhdx/fitting_torch.py b/pyhdx/fitting_torch.py
@@ -160,7 +160,7 @@ def output(self):
         #data_obj is HDXMeasurementset
 
         quantities = ['sequence', '_deltaG', 'deltaG', 'covariance', 'pfact']
-        names = [hdxm.name or hdxm.state for hdxm in self.data_obj.hdxm_list]
+        names = [hdxm.name for hdxm in self.data_obj.hdxm_list]
         iterables = [names, quantities]
         col_index = pd.MultiIndex.from_product(iterables, names=['State', 'Quantity'])
         df = pd.DataFrame(index=self.data_obj.r_number, columns=col_index)
@@ -184,5 +184,4 @@ def output(self):
             cov_series = cov['covariance'].reindex(df.index)
             df[hdxm.name, 'covariance'] = cov_series
 
-
         return Protein(df)
diff --git a/pyhdx/models.py b/pyhdx/models.py
@@ -720,7 +720,7 @@ def __init__(self, data, **metadata):
 
     @property
     def name(self):
-        return self.metadata.get('name', None)
+        return self.metadata.get('name', self.state)
 
     @property
     def temperature(self):

diff --git a/tests/test_fitting.py b/tests/test_fitting.py
@@ -5,10 +5,8 @@
 from pyhdx.models import HDXMeasurementSet
 import numpy as np
 import torch
-import pandas as pd
 import time
 from dask.distributed import LocalCluster
-import asyncio
 
 directory = os.path.dirname(__file__)
 np.random.seed(43)
@@ -78,7 +76,7 @@ def test_batch_fit(self):
 
         for state in states:
             from pandas.testing import assert_series_equal
-            #
+
             result = output[state]['deltaG']
             test = check_protein[state]['deltaG']