Allow user to skip read-in of error columns

nafuma/xrd/refinement.py

@@ -926,10 +926,18 @@ def refine(data: dict, options={}):
 
 
 
-def read_results(path):
+def read_results(path, options={}):
+    
+
+    default_options = {
+        'errors': True
+    }
+
+    options = aux.update_options(options=options, default_options=default_options)
 
     results = pd.read_csv(path, delim_whitespace=True, index_col=0, header=None)
 
+    if options['errors']:
         atoms = int((results.shape[1] - 24) / 10)
 
         headers = [
@@ -938,13 +946,25 @@ def read_results(path):
         'a', 'a_err', 'b', 'b_err', 'c', 'c_err', 'alpha', 'alpha_err', 'beta', 'beta_err', 'gamma', 'gamma_err',
         ]
     
+    else:
+        atoms = int((results.shape[1] - 15) / 5)
+
+        headers = [
+            'r_wp', 'r_exp', 'r_p', 'r_p_dash', 'r_exp_dash', 'gof',
+            'vol', 'mass', 'wp',
+            'a', 'b', 'c', 'alpha', 'beta', 'gamma',
+        ]
+
 
     labels = ['x', 'y', 'z', 'occ', 'beq']
     for i in range(atoms):
         for label in labels:
             headers.append(f'atom_{i+1}_{label}')
+            
+            if options['errors']:
                 headers.append(f'atom_{i+1}_{label}_err')
 
+
     results.columns = headers
     
     return results