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# standard imports
import unittest
# third party imports
# local imports
from ACEtk import Xsdir
from ACEtk import XsdirEntry
class Test_ACEtk_XsdirEntry( unittest.TestCase ) :
"""Unit test for the XsdirEntry class."""
chunk = ( 'datapath=/some/path/to/Data\n'
'atomic weight ratios\n'
' 1 1.00000000\n'
' 1000 0.99931697 1001 0.99916733 1002 1.99679968 1003 2.99013997\n'
' 1004 3.99320563\n'
' 92000 235.98412800 92235 233.02478975 1092235 233.02478975\n'
'\n'
'directory\n'
' 92234.00c 234.000000 file 0 1 5 1000 0 0 2.530000e-08\n'
' 92235.00c 235.000000 file2 0 1 3 2000 0 0 2.530000e-08 ptable\n'
' 92000.00p 233.000000 file3 0 1 4 3000\n' )
chunk_with_comment_lines = ( '# this is a comment line\n'
'datapath=/some/path/to/Data\n'
'# this is a comment line\n'
'# this is a comment line\n'
'atomic weight ratios\n'
' 1 1.00000000\n'
' 1000 0.99931697 1001 0.99916733 1002 1.99679968 1003 2.99013997\n'
' 1004 3.99320563\n'
'# this is a comment line\n'
' 92000 235.98412800 92235 233.02478975 1092235 233.02478975\n'
'\n'
'# this is a comment line\n'
'directory\n'
'# this is a comment line\n'
' 92234.00c 234.000000 file 0 1 5 1000 0 0 2.530000e-08\n'
' 92235.00c 235.000000 file2 0 1 3 2000 0 0 +\n'
' 2.530000e-08 ptable\n'
'# this is a comment line\n'
'# this is a comment line\n'
' 92000.00p 233.000000 file3 0 1 4 3000\n' )
chunk_with_upper_case = ( ' DaTaPatH=/some/path/to/Data \n'
' atomic WEIGHT ratios \n'
' 1 1.00000000\n'
' 1000 0.99931697 1001 0.99916733 1002 1.99679968 1003 2.99013997\n'
' 1004 3.99320563\n'
' 92000 235.98412800 92235 233.02478975 1092235 233.02478975\n'
'\n'
' DIRECTory \n'
' 92234.00c 234.000000 file 0 1 5 1000 0 0 2.530000e-08\n'
' 92235.00c 235.000000 file2 0 1 3 2000 0 0 +\n'
' 2.530000e-08 ptable\n'
' 92000.00p 233.000000 file3 0 1 4 3000\n' )
chunk_without_datapath = ( '\n'
'atomic weight ratios\n'
' 1 1.00000000\n'
' 1000 0.99931697 1001 0.99916733 1002 1.99679968 1003 2.99013997\n'
' 1004 3.99320563\n'
' 92000 235.98412800 92235 233.02478975 1092235 233.02478975\n'
'\n'
'directory\n'
' 92234.00c 234.000000 file 0 1 5 1000 0 0 2.530000e-08\n'
' 92235.00c 235.000000 file2 0 1 3 2000 0 0 2.530000e-08 ptable\n'
' 92000.00p 233.000000 file3 0 1 4 3000\n' )
def test_component( self ) :
def verify_chunk( self, chunk ) :
# verify content
self.assertEqual( '/some/path/to/Data', chunk.data_path )
self.assertEqual( 9, len( chunk.atomic_weight_ratios ) )
self.assertAlmostEqual( 1.00000000, chunk.atomic_weight_ratios[ 1 ] )
self.assertAlmostEqual( 0.99931697, chunk.atomic_weight_ratios[ 1000 ] )
self.assertAlmostEqual( 0.99916733, chunk.atomic_weight_ratios[ 1001 ] )
self.assertAlmostEqual( 1.99679968, chunk.atomic_weight_ratios[ 1002 ] )
self.assertAlmostEqual( 2.99013997, chunk.atomic_weight_ratios[ 1003 ] )
self.assertAlmostEqual( 3.99320563, chunk.atomic_weight_ratios[ 1004 ] )
self.assertAlmostEqual( 235.98412800, chunk.atomic_weight_ratios[ 92000 ] )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratios[ 92235 ] )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratios[ 1092235 ] )
self.assertAlmostEqual( 1.00000000, chunk.atomic_weight_ratio( 1 ) )
self.assertAlmostEqual( 0.99931697, chunk.atomic_weight_ratio( 1000 ) )
self.assertAlmostEqual( 0.99916733, chunk.atomic_weight_ratio( 1001 ) )
self.assertAlmostEqual( 1.99679968, chunk.atomic_weight_ratio( 1002 ) )
self.assertAlmostEqual( 2.99013997, chunk.atomic_weight_ratio( 1003 ) )
self.assertAlmostEqual( 3.99320563, chunk.atomic_weight_ratio( 1004 ) )
self.assertAlmostEqual( 235.98412800, chunk.atomic_weight_ratio( 92000 ) )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratio( 92235 ) )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratio( 1092235 ) )
self.assertEqual( 3, len( chunk.entries ) )
self.assertEqual( '92234.00c', chunk.entries[0].zaid )
self.assertEqual( '92235.00c', chunk.entries[1].zaid )
self.assertEqual( '92000.00p', chunk.entries[2].zaid )
entry = chunk.entry( '92234.00c' );
self.assertEqual( '92234.00c', entry.zaid )
entry = chunk.entry( '92235.00c' );
self.assertEqual( '92235.00c', entry.zaid )
entry = chunk.entry( '92000.00p' );
self.assertEqual( '92000.00p', entry.zaid )
# verify string
self.assertEqual( self.chunk, chunk.to_string() )
def verify_chunk_without_datapath( self, chunk ) :
# verify content
self.assertEqual( None, chunk.data_path )
self.assertEqual( 9, len( chunk.atomic_weight_ratios ) )
self.assertAlmostEqual( 1.00000000, chunk.atomic_weight_ratios[ 1 ] )
self.assertAlmostEqual( 0.99931697, chunk.atomic_weight_ratios[ 1000 ] )
self.assertAlmostEqual( 0.99916733, chunk.atomic_weight_ratios[ 1001 ] )
self.assertAlmostEqual( 1.99679968, chunk.atomic_weight_ratios[ 1002 ] )
self.assertAlmostEqual( 2.99013997, chunk.atomic_weight_ratios[ 1003 ] )
self.assertAlmostEqual( 3.99320563, chunk.atomic_weight_ratios[ 1004 ] )
self.assertAlmostEqual( 235.98412800, chunk.atomic_weight_ratios[ 92000 ] )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratios[ 92235 ] )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratios[ 1092235 ] )
self.assertAlmostEqual( 1.00000000, chunk.atomic_weight_ratio( 1 ) )
self.assertAlmostEqual( 0.99931697, chunk.atomic_weight_ratio( 1000 ) )
self.assertAlmostEqual( 0.99916733, chunk.atomic_weight_ratio( 1001 ) )
self.assertAlmostEqual( 1.99679968, chunk.atomic_weight_ratio( 1002 ) )
self.assertAlmostEqual( 2.99013997, chunk.atomic_weight_ratio( 1003 ) )
self.assertAlmostEqual( 3.99320563, chunk.atomic_weight_ratio( 1004 ) )
self.assertAlmostEqual( 235.98412800, chunk.atomic_weight_ratio( 92000 ) )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratio( 92235 ) )
self.assertAlmostEqual( 233.02478975, chunk.atomic_weight_ratio( 1092235 ) )
self.assertEqual( 3, len( chunk.entries ) )
self.assertEqual( '92234.00c', chunk.entries[0].zaid )
self.assertEqual( '92235.00c', chunk.entries[1].zaid )
self.assertEqual( '92000.00p', chunk.entries[2].zaid )
entry = chunk.entry( '92234.00c' );
self.assertEqual( '92234.00c', entry.zaid )
entry = chunk.entry( '92235.00c' );
self.assertEqual( '92235.00c', entry.zaid )
entry = chunk.entry( '92000.00p' );
self.assertEqual( '92000.00p', entry.zaid )
# verify string
self.assertEqual( self.chunk_without_datapath, chunk.to_string() )
# the data is given explicitly
chunk = Xsdir( datapath = '/some/path/to/Data',
ratios = {
1 : 1.00000000,
1000 : 0.99931697,
1001 : 0.99916733,
1002 : 1.99679968,
1003 : 2.99013997,
1004 : 3.99320563,
92000 : 235.98412800,
92235 : 233.02478975,
1092235 : 233.02478975
},
entries = [
XsdirEntry( '92234.00c', 234., 'file', 5, 1000, 2.53e-8, False ),
XsdirEntry( '92235.00c', 235., 'file2', 3, 2000, 2.53e-8, True ),
XsdirEntry( '92000.00p', 233., 'file3', 4, 3000 )
] )
verify_chunk( self, chunk )
# the data is read from a string
chunk = Xsdir.from_string( self.chunk )
verify_chunk( self, chunk )
# the data is read from a string with some comment lines
chunk = Xsdir.from_string( self.chunk_with_comment_lines )
verify_chunk( self, chunk )
# the data is read from a string with some upper case keywords
chunk = Xsdir.from_string( self.chunk_with_upper_case )
verify_chunk( self, chunk )
# the data is given explicitly without a datapath
chunk = Xsdir( ratios = {
1 : 1.00000000,
1000 : 0.99931697,
1001 : 0.99916733,
1002 : 1.99679968,
1003 : 2.99013997,
1004 : 3.99320563,
92000 : 235.98412800,
92235 : 233.02478975,
1092235 : 233.02478975
},
entries = [
XsdirEntry( '92234.00c', 234., 'file', 5, 1000, 2.53e-8, False ),
XsdirEntry( '92235.00c', 235., 'file2', 3, 2000, 2.53e-8, True ),
XsdirEntry( '92000.00p', 233., 'file3', 4, 3000 )
] )
verify_chunk_without_datapath( self, chunk )
# the data is read from a string
chunk = Xsdir.from_string( self.chunk_without_datapath )
verify_chunk_without_datapath( self, chunk )
if __name__ == '__main__' :
unittest.main()