Merge pull request #11 from samwaseda/tests_ti_meta

Tests ti meta

tests/test_full_run.py

@@ -0,0 +1,47 @@
+from mamonca import MC
+import numpy as np
+import unittest
+import os
+
+
+class TestTemplate(unittest.TestCase):
+
+    @classmethod
+    def setUpClass(cls):
+        cls.file_location = os.path.dirname(os.path.abspath(__file__))
+        cls.ij = np.loadtxt(
+            os.path.join(cls.file_location, "neighbors.txt")
+        ).astype(int)
+        cls.n = np.max(cls.ij) + 1
+
+
+class TestRaw(TestTemplate):
+
+    def test_thermodynamic_integration(self):
+        mc = MC(self.n)
+        mc.set_heisenberg_coeff(0.1, *self.ij, index=0)
+        mc.set_heisenberg_coeff(-0.03, *self.ij, index=1)
+        mc.set_lambda(0.5)
+        mc.run(temperature=300, number_of_iterations=100)
+        self.assertLess(mc.get_energy(index=0), mc.get_energy(index=1))
+
+class TestPredefine(TestTemplate):
+    def setUp(self):
+        self.mc = MC(self.n)
+        self.mc.set_heisenberg_coeff(0.1, *self.ij, index=0)
+
+    def test_metadynamics(self):
+        self.mc.set_metadynamics(max_range=1)
+        self.mc.run(temperature=300, number_of_iterations=100)
+        meta = self.mc.get_metadynamics_free_energy()
+        self.assertAlmostEqual(np.diff(meta["magnetization"]).ptp(), 0)
+        self.assertLessEqual(meta["free_energy"].max(), 0)
+
+    def test_spin_dynamics(self):
+        self.mc.switch_spin_dynamics()
+        self.mc.run(temperature=300, number_of_iterations=100)
+        self.assertLess(self.mc.get_energy(), 0)
+
+
+if __name__ == '__main__':
+    unittest.main()