From e47999726d950c4e0ae68fc7ed9859646de7b886 Mon Sep 17 00:00:00 2001
From: wangqc <1160619743@qq.com>
Date: Thu, 12 Jun 2025 14:09:54 +0800
Subject: [PATCH 1/2] feat: add the link of ckpt in test

---
 .../applications/crystalflow/test_crystalflow.py     | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/MindChemistry/applications/crystalflow/test_crystalflow.py b/MindChemistry/applications/crystalflow/test_crystalflow.py
index ffce4881f..38a58657d 100644
--- a/MindChemistry/applications/crystalflow/test_crystalflow.py
+++ b/MindChemistry/applications/crystalflow/test_crystalflow.py
@@ -7,6 +7,7 @@ import mindspore.numpy as mnp
 from mindspore import nn, ops, Tensor, mint, load_checkpoint, load_param_into_net
 from mindchemistry.graph.loss import L2LossMask
 import numpy as np
+import urllib.request
 
 
 from models.cspnet import CSPNet
@@ -33,6 +34,13 @@ class SinusoidalTimeEmbeddings(nn.Cell):
             (ops.Sin()(embeddings), ops.Cos()(embeddings)))
         return embeddings
 
+def download_file(url, filename):
+    try:
+        urllib.request.urlretrieve(url, filename)
+        print(f"File downloaded successfully: {filename}")
+    except Exception as e:
+        print(f"Failed to download file: {e}")
+
 def test_cspnet():
     """test cspnet.py"""
     ms.set_seed(1234)
@@ -153,7 +161,8 @@ def test_loss():
 
     cspnet = CSPNet(num_layers=6, hidden_dim=512, num_freqs=256)
     cspflow = CSPFlow(cspnet)
-    mindspore_ckpt = load_checkpoint("./torch2ms_ckpt/ms_flow.ckpt")
+    download_file('https://download-mindspore.osinfra.cn/mindscience/mindchemistry/crystalflow/ms_flow.ckpt', 'ms_flow.ckpt')
+    mindspore_ckpt = load_checkpoint("ms_flow.ckpt")
     load_param_into_net(cspflow, mindspore_ckpt)
 
     loss_func_mse = L2LossMask(reduction='mean')
@@ -189,3 +198,4 @@ def test_loss():
         break
     assert mseloss_l <= 0.7, "The denoising of lattice accuracy is not successful."
     assert mseloss_x <= 0.7, "The denoising of fractional coordinates accuracy is not successful."
+test_loss()
\ No newline at end of file
-- 
Gitee


From 2966f3cc70e15531c76be12a635931b45d6c72a9 Mon Sep 17 00:00:00 2001
From: wangqc <1160619743@qq.com>
Date: Thu, 12 Jun 2025 14:26:55 +0800
Subject: [PATCH 2/2] feat: add the link of ckpt in test

---
 MindChemistry/applications/crystalflow/test_crystalflow.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/MindChemistry/applications/crystalflow/test_crystalflow.py b/MindChemistry/applications/crystalflow/test_crystalflow.py
index 38a58657d..18e0a9199 100644
--- a/MindChemistry/applications/crystalflow/test_crystalflow.py
+++ b/MindChemistry/applications/crystalflow/test_crystalflow.py
@@ -198,4 +198,3 @@ def test_loss():
         break
     assert mseloss_l <= 0.7, "The denoising of lattice accuracy is not successful."
     assert mseloss_x <= 0.7, "The denoising of fractional coordinates accuracy is not successful."
-test_loss()
\ No newline at end of file
-- 
Gitee