Add performance checks

gmso/tests/base_test.py

@@ -114,7 +114,7 @@ def _topology(n_sites=100):
             packed_system = mb.fill_box(
                 compound=ar,
                 n_compounds=n_sites,
-                box=mb.Box([3, 3, 3]),
+                density=1700,
             )
 
             return packed_system

gmso/tests/test_performance.py

@@ -0,0 +1,48 @@
+import pytest
+
+from gmso.core.atom import Atom
+from gmso.core.atom_type import AtomType
+from gmso.core.topology import Topology
+from gmso.external import from_mbuild
+from gmso.formats.gro import write_gro
+from gmso.formats.lammpsdata import write_lammpsdata
+from gmso.formats.mcf import write_mcf
+from gmso.formats.top import write_top
+from gmso.formats.xyz import write_xyz
+from gmso.tests.base_test import BaseTest
+
+
+class TestPerformance(BaseTest):
+    @pytest.mark.timeout(15)
+    def test_lammps_performance(self, n_typed_ar_system):
+        top = n_typed_ar_system(n_sites=10000)
+        write_lammpsdata(top, "data.ar")
+
+    @pytest.mark.timeout(15)
+    def test_mcf_performance(self, n_typed_ar_system):
+        top = n_typed_ar_system(n_sites=10000)
+        write_mcf(top, "ar.mcf")
+
+    @pytest.mark.timeout(15)
+    def test_top_performance(self, n_typed_ar_system):
+        top = n_typed_ar_system(n_sites=10000)
+        write_top(top, "ar.top")
+
+    @pytest.mark.timeout(5)
+    def test_xyz_performance(self, n_ar_system):
+        cmpd = n_ar_system(n_sites=10000)
+        top = from_mbuild(cmpd)
+        write_xyz(top, "ar.xyz")
+
+    @pytest.mark.timeout(5)
+    def test_gro_performance(self, n_ar_system):
+        cmpd = n_ar_system(n_sites=10000)
+        top = from_mbuild(cmpd)
+        write_gro(top, "ar.gro")
+
+    # TODO: Add test to check performance of loading in XML when more performant
+
+    @pytest.mark.timeout(20)
+    def test_from_mbuild_performance(self, n_ar_system):
+        cmpd = n_ar_system(n_sites=50000)
+        top = from_mbuild(cmpd)