update script instead of types

Author: lilyminium

doc/source/scripts/gen_topologyattr_defaults.py

@@ -33,7 +33,7 @@ def _default(klass: TopologyAttr) -> str:
                 return DEFAULTS[klass.attrname]
             except KeyError:
                 try:
-                    return repr(klass._gen_initial_values(1, 1, 1)[0])
+                    return repr(klass._gen_initial_values(1, 1, 1).tolist()[0])
                 except NotImplementedError:
                     return "No default values"
 

doc/source/scripts/tests/snapshot/__snapshots__/test_gen_topologyattr_defaults.ambr

@@ -18,7 +18,7 @@
     list([
       'aromaticities',
       'aromaticity',
-      'np.False_',
+      'False',
       'atom',
       <class 'bool'>,
     ]),
@@ -60,7 +60,7 @@
     list([
       'charges',
       'charge',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
@@ -95,28 +95,28 @@
     list([
       'epsilon14s',
       'epsilon14',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
     list([
       'epsilons',
       'epsilon',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
     list([
       'formalcharges',
       'formalcharge',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'int'>,
     ]),
     list([
       'gbscreens',
       'gbscreen',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
@@ -144,7 +144,7 @@
     list([
       'masses',
       'mass',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'numpy.float64'>,
     ]),
@@ -179,21 +179,21 @@
     list([
       'nbindices',
       'nbindex',
-      'np.int32(0)',
+      '0',
       'atom',
       <class 'int'>,
     ]),
     list([
       'occupancies',
       'occupancy',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
     list([
       'radii',
       'radius',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
@@ -228,14 +228,14 @@
     list([
       'rmin14s',
       'rmin14',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
     list([
       'rmins',
       'rmin',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
@@ -249,14 +249,14 @@
     list([
       'solventradii',
       'solventradius',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),
     list([
       'tempfactors',
       'tempfactor',
-      'np.float64(0.0)',
+      '0.0',
       'atom',
       <class 'float'>,
     ]),