More checksums updates

Examples/Physics_applications/capacitive_discharge/analysis_1d.py

@@ -2,8 +2,14 @@
 
 # Copyright 2022 Modern Electron, David Grote
 
+import os
+import sys
+
 import numpy as np
 
+sys.path.append("../../../../warpx/Regression/Checksum/")
+from checksumAPI import evaluate_checksum
+
 # fmt: off
 ref_density = np.array([
        1.27989677e+14, 2.23601330e+14, 2.55400265e+14, 2.55664972e+14,
@@ -45,3 +51,9 @@
 density_data = np.load("ion_density_case_1.npy")
 print(repr(density_data))
 assert np.allclose(density_data, ref_density)
+
+# compare checksums
+evaluate_checksum(
+    test_name=os.path.split(os.getcwd())[1],
+    output_file=sys.argv[1],
+)

Examples/Physics_applications/capacitive_discharge/analysis_2d.py

@@ -11,12 +11,11 @@
 import sys
 
 sys.path.append("../../../../warpx/Regression/Checksum/")
+from checksumAPI import evaluate_checksum
 
-import checksumAPI
-
-my_check = checksumAPI.evaluate_checksum(
+# compare checksums
+evaluate_checksum(
     test_name=os.path.split(os.getcwd())[1],
     output_file=sys.argv[1],
     rtol=5e-3,
-    do_particles=True,
 )

Examples/Physics_applications/capacitive_discharge/analysis_dsmc.py

@@ -8,14 +8,7 @@
 import numpy as np
 
 sys.path.append("../../../../warpx/Regression/Checksum/")
-
-import checksumAPI
-
-# this will be the name of the plot file
-fn = sys.argv[1]
-test_name = os.path.split(os.getcwd())[1]
-
-my_check = checksumAPI.evaluate_checksum(test_name, fn, do_particles=True)
+from checksumAPI import evaluate_checksum
 
 # fmt: off
 ref_density = np.array([
@@ -58,3 +51,9 @@
 density_data = np.load("ion_density_case_1.npy")
 print(repr(density_data))
 assert np.allclose(density_data, ref_density)
+
+# compare checksums
+evaluate_checksum(
+    test_name=os.path.split(os.getcwd())[1],
+    output_file=sys.argv[1],
+)

Examples/Physics_applications/laser_acceleration/analysis_1d_fluid_boosted.py

@@ -24,8 +24,8 @@
 import numpy as np
 from scipy.constants import c, e, epsilon_0, m_e
 
-sys.path.insert(1, "../../../../warpx/Regression/Checksum/")
-import checksumAPI
+sys.path.append("../../../../warpx/Regression/Checksum/")
+from checksumAPI import evaluate_checksum
 
 # this will be the name of the plot file
 fn = sys.argv[1]
@@ -188,5 +188,8 @@ def odefcn(phi, xi, kp, a0, c, tau, xi_0, lambda_laser):
 
 assert error_rel < tolerance_rel
 
-test_name = os.path.split(os.getcwd())[1]
-checksumAPI.evaluate_checksum(test_name, fn)
+# compare checksums
+evaluate_checksum(
+    test_name=os.path.split(os.getcwd())[1],
+    output_file=sys.argv[1],
+)

Examples/analysis_default_openpmd_regression.py

@@ -5,16 +5,22 @@
 import sys
 
 sys.path.insert(1, "../../../../warpx/Regression/Checksum/")
-import checksumAPI
+from checksumAPI import evaluate_checksum
 
-# this will be the name of the plot file
-fn = sys.argv[1]
-
-# Get name of the test
 test_name = os.path.split(os.getcwd())[1]
+output_file = sys.argv[1]
 
 # Run checksum regression test
-if re.search("single_precision", fn):
-    checksumAPI.evaluate_checksum(test_name, fn, output_format="openpmd", rtol=2.0e-6)
+if re.search("single_precision", output_file):
+    evaluate_checksum(
+        test_name=test_name,
+        output_file=output_file,
+        output_format="openpmd",
+        rtol=2e-6,
+    )
 else:
-    checksumAPI.evaluate_checksum(test_name, fn, output_format="openpmd")
+    evaluate_checksum(
+        test_name=test_name,
+        output_file=output_file,
+        output_format="openpmd",
+    )

Examples/analysis_default_regression.py

@@ -5,17 +5,21 @@
 import sys
 
 sys.path.insert(1, "../../../../warpx/Regression/Checksum/")
-import checksumAPI
+from checksumAPI import evaluate_checksum
 
-# this will be the name of the plot file
-fn = sys.argv[1]
-
-# Get name of the test
 test_name = os.path.split(os.getcwd())[1]
+output_file = sys.argv[1]
 
 # Run checksum regression test
-if re.search("single_precision", fn):
-    checksumAPI.evaluate_checksum(test_name, fn, rtol=2.0e-6)
+if re.search("single_precision", output_file):
+    evaluate_checksum(
+        test_name=test_name,
+        output_file=output_file,
+        rtol=2e-6,
+    )
 else:
     # using default relative tolerance
-    checksumAPI.evaluate_checksum(test_name, fn)
+    evaluate_checksum(
+        test_name=test_name,
+        output_file=output_file,
+    )

Examples/analysis_default_restart.py

@@ -7,7 +7,7 @@
 import yt
 
 sys.path.insert(1, "../../../../warpx/Regression/Checksum/")
-import checksumAPI
+from checksumAPI import evaluate_checksum
 
 
 def check_restart(filename, tolerance=1e-12):
@@ -67,12 +67,17 @@ def check_restart(filename, tolerance=1e-12):
     print()
 
 
-filename = sys.argv[1]
+# test name (for checksums, remove "_restart") and output file name
+test_name = os.path.split(os.getcwd())[1]
+test_name = test_name.replace("_restart", "")
+output_file = sys.argv[1]
 
 # compare restart results against original results
-check_restart(filename)
+check_restart(output_file)
 
 # compare restart checksums against original checksums
-testname = os.path.split(os.getcwd())[1]
-testname = testname.replace("_restart", "")
-checksumAPI.evaluate_checksum(testname, filename, rtol=1e-12)
+evaluate_checksum(
+    test_name=test_name,
+    output_file=output_file,
+    rtol=1e-12,
+)

Regression/Checksum/benchmarks_json/test_1d_background_mcc_picmi.json

@@ -0,0 +1,20 @@
+{
+  "lev=0": {
+    "rho_electrons": 0.0044328572492614605,
+    "rho_he_ions": 0.005198609403474849
+  },
+  "electrons": {
+    "particle_momentum_x": 3.5020450942268976e-20,
+    "particle_momentum_y": 3.5342700024993965e-20,
+    "particle_momentum_z": 1.2596017960675146e-19,
+    "particle_position_x": 2139.5967568101983,
+    "particle_weight": 14577210937500.002
+  },
+  "he_ions": {
+    "particle_momentum_x": 2.770046913680294e-19,
+    "particle_momentum_y": 2.755651798947783e-19,
+    "particle_momentum_z": 3.619494241595636e-19,
+    "particle_position_x": 2200.218124999781,
+    "particle_weight": 17184714843750.002
+  }
+}

Regression/Checksum/checksum.py

@@ -243,9 +243,8 @@ def evaluate(self, rtol=1.0e-9, atol=1.0e-40):
             )
             print("Benchmark: %s" % ref_benchmark.data.keys())
             print("Test file: %s" % self.data.keys())
-            print("\n----------------\nNew file for " + self.test_name + ":")
+            print(f"\nNew checksums file {self.test_name}.json:")
             print(json.dumps(self.data, indent=2))
-            print("----------------")
             sys.exit(1)
 
         # Dictionaries have same inner keys (field and particle quantities)?
@@ -261,9 +260,8 @@ def evaluate(self, rtol=1.0e-9, atol=1.0e-40):
                     % (key1, ref_benchmark.data[key1].keys())
                 )
                 print("Test file inner keys in %s: %s" % (key1, self.data[key1].keys()))
-                print("\n----------------\nNew file for " + self.test_name + ":")
+                print(f"\nNew checksums file {self.test_name}.json:")
                 print(json.dumps(self.data, indent=2))
-                print("----------------")
                 sys.exit(1)
 
         # Dictionaries have same values?
@@ -298,7 +296,6 @@ def evaluate(self, rtol=1.0e-9, atol=1.0e-40):
                         rel_err = abs_err / np.abs(x)
                         print("Relative error: {:.2e}".format(rel_err))
         if checksums_differ:
-            print("\n----------------\nNew file for " + self.test_name + ":")
+            print(f"\nNew checksums file {self.test_name}.json:")
             print(json.dumps(self.data, indent=2))
-            print("----------------")
             sys.exit(1)