From 6ccce8345c9372d87806c787c49599e917840280 Mon Sep 17 00:00:00 2001
From: Yuchen Xiao <yx2924@columbia.edu>
Date: Mon, 20 Apr 2026 14:33:50 -0400
Subject: [PATCH 1/2] feat: support single line comment in the macro file

---
 news/single-line-comment.rst    | 23 +++++++++++++++++++++++
 src/diffpy/__init__.py          | 14 --------------
 src/diffpy/apps/app_runmacro.py |  3 +++
 src/diffpy/apps/pdfadapter.py   |  3 +--
 tests/helper.py                 |  1 -
 tests/test_runmacro.py          | 12 ++++++++++++
 6 files changed, 39 insertions(+), 17 deletions(-)
 create mode 100644 news/single-line-comment.rst
 delete mode 100644 src/diffpy/__init__.py

diff --git a/news/single-line-comment.rst b/news/single-line-comment.rst
new file mode 100644
index 0000000..14c0170
--- /dev/null
+++ b/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>
diff --git a/src/diffpy/__init__.py b/src/diffpy/__init__.py
deleted file mode 100644
index 2d7de20..0000000
--- a/src/diffpy/__init__.py
+++ /dev/null
@@ -1,14 +0,0 @@
-#!/usr/bin/env python
-##############################################################################
-#
-# (c) 2026 The Trustees of Columbia University in the City of New York.
-# All rights reserved.
-#
-# File coded by: Billinge Group members and community contributors.
-#
-# See GitHub contributions for a more detailed list of contributors.
-# https://github.com/diffpy/diffpy.apps/graphs/contributors
-#
-# See LICENSE.rst for license information.
-#
-##############################################################################
diff --git a/src/diffpy/apps/app_runmacro.py b/src/diffpy/apps/app_runmacro.py
index 47330dd..4ac47a7 100644
--- a/src/diffpy/apps/app_runmacro.py
+++ b/src/diffpy/apps/app_runmacro.py
@@ -45,6 +45,9 @@
 RawValue:
     /[^\s]+/
 ;
+
+
+Comment: /#[^\n]*/;
 """
 
 
diff --git a/src/diffpy/apps/pdfadapter.py b/src/diffpy/apps/pdfadapter.py
index 5ea27ac..dc9b850 100644
--- a/src/diffpy/apps/pdfadapter.py
+++ b/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:
diff --git a/tests/helper.py b/tests/helper.py
index b4b1a4f..f557162 100644
--- a/tests/helper.py
+++ b/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
diff --git a/tests/test_runmacro.py b/tests/test_runmacro.py
index a2545ba..58ea2d0 100644
--- a/tests/test_runmacro.py
+++ b/tests/test_runmacro.py
@@ -162,6 +162,18 @@ 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(

From c9cb44b56deb87588aed7c90bc54d663901a8603 Mon Sep 17 00:00:00 2001
From: Yuchen Xiao <yx2924@columbia.edu>
Date: Mon, 20 Apr 2026 14:37:37 -0400
Subject: [PATCH 2/2] chore: fix `tests_on_pr`

---
 src/diffpy/__init__.py | 14 ++++++++++++++
 1 file changed, 14 insertions(+)
 create mode 100644 src/diffpy/__init__.py

diff --git a/src/diffpy/__init__.py b/src/diffpy/__init__.py
new file mode 100644
index 0000000..2d7de20
--- /dev/null
+++ b/src/diffpy/__init__.py
@@ -0,0 +1,14 @@
+#!/usr/bin/env python
+##############################################################################
+#
+# (c) 2026 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
+#
+# File coded by: Billinge Group members and community contributors.
+#
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.apps/graphs/contributors
+#
+# See LICENSE.rst for license information.
+#
+##############################################################################