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Commit 70d09c52 authored by Rafal Gumienny's avatar Rafal Gumienny
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test: SCHWED-3126 Updated tests for non-standard

parent c7622c5e
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import unittest import unittest
from ost import conop, io, mol from ost import io, mol
class TestNonStandard(unittest.TestCase): class TestNonStandard(unittest.TestCase):
...@@ -12,7 +12,7 @@ class TestNonStandard(unittest.TestCase): ...@@ -12,7 +12,7 @@ class TestNonStandard(unittest.TestCase):
c=ed.InsertChain('A') c=ed.InsertChain('A')
ed.AppendResidue(c, 'SER') ed.AppendResidue(c, 'SER')
err, has_cbeta=conop.CopyConserved(tpl.residues[0], new_hdl.residues[0], ed) err, has_cbeta=mol.alg.CopyConserved(tpl.residues[0], new_hdl.residues[0], ed)
self.assertTrue(err) self.assertTrue(err)
self.assertTrue(has_cbeta) self.assertTrue(has_cbeta)
residues=new_hdl.residues residues=new_hdl.residues
...@@ -36,16 +36,16 @@ class TestNonStandard(unittest.TestCase): ...@@ -36,16 +36,16 @@ class TestNonStandard(unittest.TestCase):
ed.AppendResidue(c, 'GLY') ed.AppendResidue(c, 'GLY')
ed.AppendResidue(c, 'GLY') ed.AppendResidue(c, 'GLY')
ed.AppendResidue(c, 'HIS') ed.AppendResidue(c, 'HIS')
err, has_cbeta=conop.CopyConserved(tpl.residues[0], new_hdl.residues[0], ed) err, has_cbeta=mol.alg.CopyConserved(tpl.residues[0], new_hdl.residues[0], ed)
self.assertTrue(has_cbeta) self.assertTrue(has_cbeta)
self.assertTrue(err) self.assertTrue(err)
err, has_cbeta=conop.CopyConserved(tpl.residues[1], new_hdl.residues[1], ed) err, has_cbeta=mol.alg.CopyConserved(tpl.residues[1], new_hdl.residues[1], ed)
self.assertFalse(has_cbeta) self.assertFalse(has_cbeta)
self.assertTrue(err) self.assertTrue(err)
err, has_cbeta=conop.CopyConserved(tpl.residues[2], new_hdl.residues[2], ed) err, has_cbeta=mol.alg.CopyConserved(tpl.residues[2], new_hdl.residues[2], ed)
self.assertFalse(has_cbeta) self.assertFalse(has_cbeta)
self.assertTrue(err) self.assertTrue(err)
err, has_cbeta=conop.CopyConserved(tpl.residues[3], new_hdl.residues[3], ed) err, has_cbeta=mol.alg.CopyConserved(tpl.residues[3], new_hdl.residues[3], ed)
self.assertTrue(has_cbeta) self.assertTrue(has_cbeta)
self.assertTrue(err) self.assertTrue(err)
...@@ -72,28 +72,28 @@ class TestNonStandard(unittest.TestCase): ...@@ -72,28 +72,28 @@ class TestNonStandard(unittest.TestCase):
ed.AppendResidue(c, 'MET') ed.AppendResidue(c, 'MET')
# MET to MET # MET to MET
err =conop.CopyResidue(tpl.residues[0], new_hdl.residues[0], ed) err =mol.alg.CopyResidue(tpl.residues[0], new_hdl.residues[0], ed)
self.assertTrue(err) self.assertTrue(err)
#GLY to GLY #GLY to GLY
err =conop.CopyResidue(tpl.residues[1], new_hdl.residues[1], ed) err =mol.alg.CopyResidue(tpl.residues[1], new_hdl.residues[1], ed)
self.assertTrue(err) self.assertTrue(err)
# GLY to GLY # GLY to GLY
err =conop.CopyResidue(tpl.residues[2], new_hdl.residues[2], ed) err =mol.alg.CopyResidue(tpl.residues[2], new_hdl.residues[2], ed)
self.assertTrue(err) self.assertTrue(err)
#now we copy a HIS to a HIS #now we copy a HIS to a HIS
err =conop.CopyResidue(tpl.residues[3], new_hdl.residues[3], ed) err =mol.alg.CopyResidue(tpl.residues[3], new_hdl.residues[3], ed)
self.assertTrue(err) self.assertTrue(err)
# copy a GLY to a HIS # copy a GLY to a HIS
err, has_cbeta=conop.CopyNonConserved(tpl.residues[1], new_hdl.residues[4], ed) err, has_cbeta=mol.alg.CopyNonConserved(tpl.residues[1], new_hdl.residues[4], ed)
self.assertFalse(has_cbeta) self.assertFalse(has_cbeta)
# copy a MET to a GLY # copy a MET to a GLY
err =conop.CopyResidue(tpl.residues[0], new_hdl.residues[5], ed) err =mol.alg.CopyResidue(tpl.residues[0], new_hdl.residues[5], ed)
self.assertFalse(err) self.assertFalse(err)
# copy a MET to a HIS # copy a MET to a HIS
err =conop.CopyResidue(tpl.residues[0], new_hdl.residues[6], ed) err =mol.alg.CopyResidue(tpl.residues[0], new_hdl.residues[6], ed)
self.assertFalse(err) self.assertFalse(err)
# copy a GLY to a MET with adding CB # copy a GLY to a MET with adding CB
err=conop.CopyResidue(tpl.residues[1], new_hdl.residues[7], ed) err=mol.alg.CopyResidue(tpl.residues[1], new_hdl.residues[7], ed)
self.assertFalse(err) self.assertFalse(err)
residues=new_hdl.residues residues=new_hdl.residues
......
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