source: tests/regression/testsuite-standard_options.at@ 11428f

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Last change on this file since 11428f was 4f7f34e, checked in by Frederik Heber <heber@…>, 15 years ago

ParseCommandLineOptions() is not used anymore.

  • TESTFIX: boost::program_options returns 134 in case of missing argument, not 255 and also no more CRITICAL message is given: testsuite-standard_options and testsuite-simple_configurations
  • Property mode set to 100644
File size: 2.3 KB
Line 
1AT_BANNER([MoleCuilder - standard options])
2# 1. verbosity
3AT_SETUP([Standard Options - verbosity])
4AT_KEYWORDS([options])
5AT_CHECK([pwd],[ignore],[ignore])
6AT_CHECK([../../molecuilder -v 1], 0, [stdout], [ignore])
7AT_CHECK([fgrep olecuilder stdout], 0, [ignore], [ignore])
8AT_CLEANUP
9
10# 2. help screen
11AT_SETUP([Standard Options - help screen])
12AT_KEYWORDS([options])
13AT_CHECK([../../molecuilder -h], 0, [stdout], [ignore])
14AT_CHECK([fgrep "Give this help screen" stdout], 0, [ignore], [ignore])
15AT_CLEANUP
16
17# 3. no element database
18AT_SETUP([Standard Options - no element database])
19AT_KEYWORDS([options])
20AT_CHECK([../../molecuilder -e], 134, [ignore], [stderr])
21AT_CLEANUP
22
23# 4. element database
24AT_SETUP([Standard Options - element database])
25AT_KEYWORDS([options])
26AT_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
27#Element Name Symbol Period Group Block Atomic Number AtomicWeight Covalent Radius vdW Radius
28Hydrogen H 1 1 s 1 1.008 0.23 1.09
29Helium He 1 18 p 2 4.003 1.5 1.4
30]])
31AT_CHECK([../../molecuilder test.conf -e ./], 0, [stdout], [stderr])
32AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
33AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
34AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
35AT_CLEANUP
36
37# 5. bond length database
38AT_SETUP([Standard Options - bond length table])
39AT_KEYWORDS([options])
40AT_DATA([bondlength.db], [[# bond length database
41 1 2
421 1. 0.
432 0. 0.
44]])
45AT_CHECK([../../molecuilder test.conf -g bondlength.db], 0, [stdout], [stderr])
46AT_CHECK([grep -E "Using.*as bond length table." stdout], 0, [ignore], [ignore])
47AT_CLEANUP
48
49# 6. fast trajectories
50AT_SETUP([Standard Options - fast trajectories])
51AT_KEYWORDS([options])
52AT_CHECK([../../molecuilder test.conf -n 1], 0, [stdout], [stderr])
53AT_CHECK([fgrep "I won't parse trajectories" stdout], 0, [ignore], [ignore])
54AT_CLEANUP
55
56# 7. molecule default name
57AT_SETUP([Standard Options - molecule default name])
58AT_KEYWORDS([options])
59AT_CHECK([../../molecuilder test.conf -X test], 0, [stdout], [stderr])
60AT_CHECK([fgrep "Default name of new molecules set to test." stdout], 0, [ignore], [ignore])
61AT_CLEANUP
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