first template

electronicparsers/boss/parser.py

@@ -0,0 +1,34 @@
+class ABACUSInputParser(TextParser):
+    def __init__(self):
+        super().__init__(None)
+
+        re_float = '\d\.\d+e\+\d{2}'
+        self._quantities = [
+            Quantity(
+                'row',
+                rf'\s+({re_float}\s+{re_float}\s+{re_float}\s+{re_float})\n',
+                repeats=True,
+                dtype=np.float64,
+                sub_parser=TextParser(
+                    quantities=[
+                        Quantity(
+                            'var_1',
+                            r'\n *stru_file\s*(\S+)',
+                        ),
+                        Quantity(
+                            'var_2',
+                            r'\n *kpoint_file\s*(\S+)',
+                        ),
+                        Quantity(
+                            'gp_mean',
+                            r'\n *basis_type\s*(\w+)',
+                        ),
+                        Quantity(
+                            'gp_variance',
+                            r'\n *init_vel\s*(\d+)',
+                            dtype=bool,
+                        ),
+                    ]
+                ),
+            ),
+        ]