r8186 - /1.3/test_suite/system_tests/structure.py -- December 10, 2008 - 18:46

Author: bugman
Date: Wed Dec 10 18:46:37 2008
New Revision: 8186

URL: http://svn.gna.org/viewcvs/relax?rev=8186&view=rev
Log:
Added tests of structure.load_spins() to all the structure system tests.


Modified:
    1.3/test_suite/system_tests/structure.py

Modified: 1.3/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/structure.py?rev=8186&r1=8185&r2=8186&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/structure.py (original)
+++ 1.3/test_suite/system_tests/structure.py Wed Dec 10 18:46:37 2008
@@ -139,6 +139,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', 
dir=path, parser='internal')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_internal2(self):
         """Load the 'Ap4Aase_res1-12.pdb' PDB file (using the internal 
structural object PDB reader)."""
@@ -149,6 +155,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=path, parser='internal')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_internal3(self):
         """Load the 'gromacs_phthalic_acid.pdb' PDB file (using the internal 
structural object PDB reader)."""
@@ -159,6 +171,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='gromacs_phthalic_acid.pdb', 
dir=path, parser='internal')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_internal4(self):
         """Load the 'tylers_peptide_trunc.pdb' PDB file (using the internal 
structural object PDB reader)."""
@@ -169,6 +187,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='tylers_peptide_trunc.pdb', 
dir=path, parser='internal')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_internal5(self):
         """Load the 'lactose_MCMM4_S1_1.pdb' PDB file (using the internal 
structural object PDB reader)."""
@@ -179,6 +203,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', 
dir=path, parser='internal')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_scientific1(self):
         """Load the '1F35_N_H_molmol.pdb' PDB file (using the Scientific 
python structural object PDB reader)."""
@@ -189,6 +219,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', 
dir=path, parser='scientific')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_scientific2(self):
         """Load the 'Ap4Aase_res1-12.pdb' PDB file (using the Scientific 
python structural object PDB reader)."""
@@ -199,6 +235,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=path, parser='scientific')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_scientific3(self):
         """Load the 'gromacs_phthalic_acid.pdb' PDB file (using the 
Scientific python structural object PDB reader)."""
@@ -209,6 +251,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='gromacs_phthalic_acid.pdb', 
dir=path, parser='scientific')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_scientific4(self):
         """Load the 'tylers_peptide_trunc.pdb' PDB file (using the 
Scientific python structural object PDB reader)."""
@@ -219,6 +267,12 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='tylers_peptide_trunc.pdb', 
dir=path, parser='scientific')
 
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()
+
 
     def test_read_pdb_scientific5(self):
         """Load the 'lactose_MCMM4_S1_1.pdb' PDB file (using the Scientific 
python structural object PDB reader)."""
@@ -229,5 +283,8 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', 
dir=path, parser='scientific')
 
-
-
+        # Try loading a few protons.
+        self.relax.interpreter._Structure.load_spins('@*H*')
+
+        # And now all the rest of the atoms.
+        self.relax.interpreter._Structure.load_spins()