From e3eb7aeeec9d67d271fcfca30705db3fce226ca6 Mon Sep 17 00:00:00 2001
From: flt6 <1404262047@qq.com>
Date: Mon, 4 Aug 2025 16:10:57 +0800
Subject: [PATCH] fix Reaction cord

---
 .gitignore          |  4 +++-
 cord/pyproject.toml |  3 +--
 mw_tool/main.py     | 10 +++++++---
 3 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/.gitignore b/.gitignore
index 53c67e9..9b9be86 100644
--- a/.gitignore
+++ b/.gitignore
@@ -6,4 +6,6 @@ __pycache__
 *.mp3
 *.mp4
 *.log
-test
\ No newline at end of file
+test
+.venv
+uv.lock
\ No newline at end of file
diff --git a/cord/pyproject.toml b/cord/pyproject.toml
index a63ea70..1ecab29 100644
--- a/cord/pyproject.toml
+++ b/cord/pyproject.toml
@@ -1,8 +1,7 @@
 [project]
-name = "tmp2"
+name = "Reaction-Cord"
 version = "0.1.0"
 description = "Add your description here"
-readme = "README.md"
 requires-python = ">=3.10"
 dependencies = [
     "matplotlib>=3.10.5",
diff --git a/mw_tool/main.py b/mw_tool/main.py
index 2d2b024..319d686 100644
--- a/mw_tool/main.py
+++ b/mw_tool/main.py
@@ -25,14 +25,18 @@ def search_compound(query):
         except Exception:
             st.error("使用smiles精确查询失败")
         # 尝试通过化学式搜索
+        if not (isinstance(compounds, list) and len(compounds) != 0):
+            # 尝试通过名称搜索
+            try:
+                compounds = pcp.get_compounds(query, 'name', listkey_count=3)
+            except Exception:
+                st.error("使用名称查询失败")
+            
         if not (isinstance(compounds, list) and len(compounds) != 0):
             try:
                 compounds = pcp.get_compounds(query, 'formula', listkey_count=3)
             except Exception:
                 st.error("使用化学式精确查询失败")
-        if not (isinstance(compounds, list) and len(compounds) != 0):
-            # 尝试通过名称搜索
-            compounds = pcp.get_compounds(query, 'name', listkey_count=3)
         
         if isinstance(compounds, list) and len(compounds) > 0:
             st.info("成功查询物质基本信息，正在获取更多数据。")