| [2700983] | 1 | ### element database
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 | 2 | 
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 | 3 | AT_SETUP([Standard Options - element database])
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| [718542] | 4 | AT_KEYWORDS([options,element-db])
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| [e69c87] | 5 | 
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| [2700983] | 6 | AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
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 | 7 | #Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
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 | 8 | Hydrogen  H 1 1 s 1 1.008 0.23  1.09
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 | 9 | Helium  He  1 18  p 2 4.003 1.5 1.4
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 | 10 | ]])
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 | 11 | AT_CHECK([../../molecuilder -i test.conf -e ./], 0, [stdout], [stderr])
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 | 12 | AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
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 | 13 | AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
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 | 14 | AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
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| [e69c87] | 15 | 
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 | 16 | AT_CLEANUP
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 | 17 | 
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 | 18 | 
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 | 19 | AT_SETUP([Standard Options - element database with Undo])
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 | 20 | AT_XFAIL_IF([/bin/true])
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| [718542] | 21 | AT_KEYWORDS([options,element-db,undo])
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| [e69c87] | 22 | 
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 | 23 | AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
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 | 24 | #Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
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 | 25 | Hydrogen  H 1 1 s 1 1.008 0.23  1.09
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 | 26 | Helium  He  1 18  p 2 4.003 1.5 1.4
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 | 27 | ]])
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 | 28 | AT_CHECK([../../molecuilder -i test.conf -e ./ --undo], 0, [stdout], [stderr])
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 | 29 | AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
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 | 30 | AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
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 | 31 | AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
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 | 32 | 
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 | 33 | AT_CLEANUP
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 | 34 | 
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 | 35 | 
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 | 36 | AT_SETUP([Standard Options - element database with Redo])
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 | 37 | AT_XFAIL_IF([/bin/true])
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| [718542] | 38 | AT_KEYWORDS([options,element-db,redo])
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| [e69c87] | 39 | 
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 | 40 | AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
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 | 41 | #Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
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 | 42 | Hydrogen  H 1 1 s 1 1.008 0.23  1.09
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 | 43 | Helium  He  1 18  p 2 4.003 1.5 1.4
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 | 44 | ]])
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 | 45 | AT_CHECK([../../molecuilder -i test.conf -e ./ --undo --redo], 0, [stdout], [stderr])
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 | 46 | AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
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 | 47 | AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
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 | 48 | AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
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 | 49 | 
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| [2700983] | 50 | AT_CLEANUP
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