Merge pull request #19 from ycexiao/single-line-comment

feat: support single line comment in the macro file

Author: sbillinge

news/single-line-comment.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* Support single line comment in the macro file.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/apps/app_runmacro.py

@@ -45,6 +45,9 @@
 RawValue:
     /[^\s]+/
 ;
+
+
+Comment: /#[^\n]*/;
 """
 
 

src/diffpy/apps/pdfadapter.py

@@ -3,8 +3,6 @@
 from pathlib import Path
 
 import numpy
-from scipy.optimize import least_squares
-
 from diffpy.srfit.fitbase import (
     FitContribution,
     FitRecipe,
@@ -14,6 +12,7 @@
 from diffpy.srfit.pdf import PDFGenerator, PDFParser
 from diffpy.srfit.structure import constrainAsSpaceGroup
 from diffpy.structure.parsers import getParser
+from scipy.optimize import least_squares
 
 
 class PDFAdapter:

tests/helper.py

@@ -1,5 +1,4 @@
 import numpy as np
-
 from diffpy.srfit.fitbase import FitContribution, FitRecipe, Profile
 from diffpy.srfit.pdf import PDFGenerator, PDFParser
 from diffpy.srfit.structure import constrainAsSpaceGroup

tests/test_runmacro.py

@@ -163,6 +163,18 @@ def test_meta_model():
             },
             {},
         ),
+        # C10: comments. Expect no error is raised by textx
+        (
+            f"""
+# This is a comment
+load structure G1 from "{_STRUCTURE_PATH}"
+""",
+            {
+                "initialize_structures.structure_paths": _STRUCTURE_PATH,
+                "initialize_structures.names": ["G1"],
+            },
+            {"G1": "structure"},
+        ),
     ],
 )
 def test_command_processor(