Changeset 23c207 for molecuilder/tests


Ignore:
Timestamp:
May 26, 2008, 1:21:19 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
5063f1
Parents:
94b458
Message:

fragmentation no more has various methods (dropped ... A)

File:
1 edited

Legend:

Unmodified
Added
Removed
  • molecuilder/tests/testsuite.at

    r94b458 r23c207  
    7070AT_CHECK([fgrep "Ion_Type2_4" test.conf], 1, [ignore], [ignore])
    7171# 5. fragment the molecule and check the number of configs
    72 AT_CHECK([../../molecuilder test.conf -e elements.db -f 1.55 2 A], 0, [ignore], [ignore], [mkdir std; mv BondFragment*.conf* std/])
     72AT_CHECK([../../molecuilder test.conf -e elements.db -f 1.55 2], 0, [ignore], [ignore], [mkdir std; mv BondFragment*.conf* std/])
    7373AT_CHECK([mkdir std; mv BondFragment*.conf* std/], 0)
    7474AT_CHECK([ls -l std/BondFragment*.conf | wc -l], 0, [5
    7575], [ignore])
    76 AT_CHECK([../../molecuilder test.conf -e elements.db -f 1.55 2 A], 0, [ignore], [ignore], [mkdir new; mv BondFragment*.conf* new/])
     76AT_CHECK([../../molecuilder test.conf -e elements.db -f 1.55 2], 0, [ignore], [ignore], [mkdir new; mv BondFragment*.conf* new/])
    7777AT_CHECK([mkdir new; mv BondFragment*.conf* new/], 0)
    7878# 6. compare both dirs by diff'ing
Note: See TracChangeset for help on using the changeset viewer.