Fixing paths to files in example pynbs

silkemaes · Jun 11, 2024 · 7f430ed · 7f430ed
1 parent dd8b85d
commit 7f430ed
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Showing 35 changed files with 70 additions and 44 deletions.
diff --git a/docs/src/example/load&test.ipynb b/docs/src/example/load&test.ipynb
diff --git a/docs/src/example/run.ipynb b/docs/src/example/run.ipynb
@@ -11,7 +11,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -22,6 +22,13 @@
     "import datetime             as dt\n",
     "from tqdm                   import tqdm\n",
     "\n",
+    "from pathlib import Path\n",
+    "import sys\n",
+    "\n",
+    "parentpath = str(Path().cwd())[:-16]\n",
+    "\n",
+    "sys.path.append(parentpath)\n",
+    "\n",
     "import src.mace.CSE_0D.dataset  as ds\n",
     "import src.mace.train           as train\n",
     "import src.mace.test            as test\n",
@@ -63,7 +70,7 @@
     "now = dt.datetime.now()\n",
     "name = str(now.strftime(\"%Y%m%d\")+'_'+now.strftime(\"%H%M%S\"))\n",
     "\n",
-    "path = '/STER/silkem/MACE/models/CSE_0D/'+name"
+    "path = parentpath + 'models/'+name"
    ]
   },
   {

diff --git a/model/20240604_160152/loss.png b/model/20240604_160152/loss.png
diff --git a/model/20240604_160152/meta.json b/model/20240604_160152/meta.json
@@ -0,0 +1,19 @@
+{
+    "nb_samples": 10000,
+    "lr": 0.0001,
+    "epochs": 150,
+    "z_dim": 8,
+    "dt_fract": 0.221,
+    "tmax": 434800000000.0,
+    "train_time_h": 72.36221496270763,
+    "overhead_s": 1.014007806777954,
+    "samples": 7000,
+    "cutoff_abs": 1e-20,
+    "losstype": "abs_idn",
+    "inputfile": "/STER/silkem/MACE/input/ignore/testing/int4.in",
+    "scheme": "int",
+    "nb_evol": 16,
+    "nb_hidden": 1,
+    "ae_type": "simple",
+    "done": "true"
+}
diff --git a/model/20240604_160152/minmax.npy b/model/20240604_160152/minmax.npy
diff --git a/model/20240604_160152/nn/nn.pt b/model/20240604_160152/nn/nn.pt
diff --git a/model/20240604_160152/nn/nn0.pt b/model/20240604_160152/nn/nn0.pt
diff --git a/model/20240604_160152/nn/nn1.pt b/model/20240604_160152/nn/nn1.pt
diff --git a/model/20240604_160152/nn/nn10.pt b/model/20240604_160152/nn/nn10.pt
diff --git a/model/20240604_160152/nn/nn11.pt b/model/20240604_160152/nn/nn11.pt
diff --git a/model/20240604_160152/nn/nn12.pt b/model/20240604_160152/nn/nn12.pt
diff --git a/model/20240604_160152/nn/nn13.pt b/model/20240604_160152/nn/nn13.pt
diff --git a/model/20240604_160152/nn/nn14.pt b/model/20240604_160152/nn/nn14.pt
diff --git a/model/20240604_160152/nn/nn2.pt b/model/20240604_160152/nn/nn2.pt
diff --git a/model/20240604_160152/nn/nn3.pt b/model/20240604_160152/nn/nn3.pt
diff --git a/model/20240604_160152/nn/nn4.pt b/model/20240604_160152/nn/nn4.pt
diff --git a/model/20240604_160152/nn/nn5.pt b/model/20240604_160152/nn/nn5.pt
diff --git a/model/20240604_160152/nn/nn6.pt b/model/20240604_160152/nn/nn6.pt
diff --git a/model/20240604_160152/nn/nn7.pt b/model/20240604_160152/nn/nn7.pt
diff --git a/model/20240604_160152/nn/nn8.pt b/model/20240604_160152/nn/nn8.pt
diff --git a/model/20240604_160152/nn/nn9.pt b/model/20240604_160152/nn/nn9.pt
diff --git a/model/20240604_160152/train/abs.npy b/model/20240604_160152/train/abs.npy
diff --git a/model/20240604_160152/train/elm.npy b/model/20240604_160152/train/elm.npy
diff --git a/model/20240604_160152/train/grd.npy b/model/20240604_160152/train/grd.npy
diff --git a/model/20240604_160152/train/idn.npy b/model/20240604_160152/train/idn.npy
diff --git a/model/20240604_160152/train/status.npy b/model/20240604_160152/train/status.npy
diff --git a/model/20240604_160152/train/tot.npy b/model/20240604_160152/train/tot.npy
diff --git a/model/20240604_160152/valid/abs.npy b/model/20240604_160152/valid/abs.npy
diff --git a/model/20240604_160152/valid/elm.npy b/model/20240604_160152/valid/elm.npy
diff --git a/model/20240604_160152/valid/grd.npy b/model/20240604_160152/valid/grd.npy
diff --git a/model/20240604_160152/valid/idn.npy b/model/20240604_160152/valid/idn.npy
diff --git a/model/20240604_160152/valid/status.npy b/model/20240604_160152/valid/status.npy
diff --git a/model/20240604_160152/valid/tot.npy b/model/20240604_160152/valid/tot.npy
diff --git a/src/mace/test.py b/src/mace/test.py
@@ -174,13 +174,13 @@ def test_model(model, testpath, meta, specs=[], inpackage = False, printing = Tr
         ## plotting results for the step test
         fig_step = plot_abs(model1D, n, n_hat, specs=specs, step = True)
         if save == True:
-            plt.savefig(model.path+'figs/step_'+id+'.png', dpi=300)
+            plt.savefig(model.path+'figs/step'+id+'.png', dpi=300)
             print('\nStep test plot saved as', model.path+'step'+id+'.png')
 
         ## plotting results for the evolution test
         fig_evol = plot_abs(model1D, n, n_evol, specs=specs)
         if save == True:
-            plt.savefig(model.path+'figs/evol_'+id+'.png', dpi=300)
+            plt.savefig(model.path+'figs/evol'+id+'.png', dpi=300)
             print('Evolution test plot saved as', model.path+'evol'+id+'.png')
 
         plt.show()

diff --git a/src/mace/utils.py b/src/mace/utils.py
@@ -111,7 +111,7 @@ def get_specs():
 
     '''
 
-    parentpath = str(Path(__file__).parent)[:-15]
+    parentpath = str(Path(__file__).parent)[:-8]
 
     loc_specs = parentpath+'data/rate16.specs'
-Original file line number
+Diff line change
@@ Expand Up / @@ -111,7 +111,7 @@ def get_specs(): @@
         '''
-        parentpath = str(Path(__file__).parent)[:-15]
+        parentpath = str(Path(__file__).parent)[:-8]
         loc_specs = parentpath+'data/rate16.specs'
@@ Expand Down @@