From fd53bc79b9418f3d04a4f0d0e4d5b7870e6a136d Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel)" Date: Fri, 4 Oct 2024 19:20:15 +0800 Subject: [PATCH] extract tests from setup method --- tests/electronic_structure/test_boltztrap2.py | 46 +++++++++++++------ 1 file changed, 31 insertions(+), 15 deletions(-) diff --git a/tests/electronic_structure/test_boltztrap2.py b/tests/electronic_structure/test_boltztrap2.py index aee4eba93e5..c9d099ccb89 100644 --- a/tests/electronic_structure/test_boltztrap2.py +++ b/tests/electronic_structure/test_boltztrap2.py @@ -214,16 +214,7 @@ def setUp(self): # non spin polarized loader = VasprunBSLoader(VASP_RUN) bztInterp = BztInterpolator(loader, lpfac=2) - self.bztTransp = BztTransportProperties(bztInterp, temp_r=np.arange(300, 600, 100)) - assert self.bztTransp is not None - - self.bztTransp = BztTransportProperties( - bztInterp, doping=10.0 ** np.arange(20, 22), temp_r=np.arange(300, 600, 100) - ) - assert self.bztTransp is not None - assert self.bztTransp.contain_props_doping - bztInterp = BztInterpolator(loader, lpfac=2) self.bztTransp = BztTransportProperties( bztInterp, temp_r=np.arange(300, 600, 100), @@ -233,15 +224,15 @@ def setUp(self): assert self.bztTransp is not None bztInterp = BztInterpolator(loader, lpfac=2) - self.bztTransp = BztTransportProperties(bztInterp, load_bztTranspProps=True, fname=BZT_TRANSP_FN) + self.bztTransp = BztTransportProperties( + bztInterp, + load_bztTranspProps=True, + fname=BZT_TRANSP_FN, + ) assert self.bztTransp is not None # spin polarized loader_sp = VasprunBSLoader(VASP_RUN_SPIN) - bztInterp_sp = BztInterpolator(loader_sp, lpfac=2) - self.bztTransp_sp = BztTransportProperties(bztInterp_sp, temp_r=np.arange(300, 600, 100)) - assert self.bztTransp_sp is not None - bztInterp_sp = BztInterpolator(loader_sp, lpfac=2) self.bztTransp_sp = BztTransportProperties( @@ -253,7 +244,32 @@ def setUp(self): assert self.bztTransp_sp is not None bztInterp_sp = BztInterpolator(loader_sp, lpfac=2) - self.bztTransp_sp = BztTransportProperties(bztInterp_sp, load_bztTranspProps=True, fname=BZT_TRANSP_FN) + self.bztTransp_sp = BztTransportProperties( + bztInterp_sp, + load_bztTranspProps=True, + fname=BZT_TRANSP_FN, + ) + assert self.bztTransp_sp is not None + + def test_init(self): + # non spin polarized + loader = VasprunBSLoader(VASP_RUN) + bztInterp = BztInterpolator(loader, lpfac=2) + self.bztTransp = BztTransportProperties(bztInterp, temp_r=np.arange(300, 600, 100)) + assert self.bztTransp is not None + + self.bztTransp = BztTransportProperties( + bztInterp, + doping=10.0 ** np.arange(20, 22), + temp_r=np.arange(300, 600, 100), + ) + assert self.bztTransp is not None + assert self.bztTransp.contain_props_doping + + # spin polarized + loader_sp = VasprunBSLoader(VASP_RUN_SPIN) + bztInterp_sp = BztInterpolator(loader_sp, lpfac=2) + self.bztTransp_sp = BztTransportProperties(bztInterp_sp, temp_r=np.arange(300, 600, 100)) assert self.bztTransp_sp is not None def test_properties(self):