| [5776cb] | 1 | #
|
|---|
| 2 | # MoleCuilder - creates and alters molecular systems
|
|---|
| 3 | # Copyright (C) 2017 Frederik Heber
|
|---|
| 4 | #
|
|---|
| 5 | # This program is free software: you can redistribute it and/or modify
|
|---|
| 6 | # it under the terms of the GNU General Public License as published by
|
|---|
| 7 | # the Free Software Foundation, either version 3 of the License, or
|
|---|
| 8 | # (at your option) any later version.
|
|---|
| 9 | #
|
|---|
| 10 | # This program is distributed in the hope that it will be useful,
|
|---|
| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|---|
| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|---|
| 13 | # GNU General Public License for more details.
|
|---|
| 14 | #
|
|---|
| 15 | # You should have received a copy of the GNU General Public License
|
|---|
| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
|
|---|
| 17 | #
|
|---|
| 18 | ### common stuff to geometry
|
|---|
| 19 |
|
|---|
| 20 | # names are already setup automatically
|
|---|
| 21 | AT_SETUP([Geometry - automatically added geometry names])
|
|---|
| 22 | AT_KEYWORDS([geometry])
|
|---|
| 23 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "zeroVector" --position "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 24 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 25 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 26 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorX" --position "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 27 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 28 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 29 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorY" --position "0,1,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 30 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 31 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 32 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorZ" --position "0,0,1" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 33 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 34 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 35 | AT_CLEANUP
|
|---|
| 36 |
|
|---|
| 37 | # no names interpretable as vectors and no pure numbers
|
|---|
| 38 | AT_SETUP([Geometry - illegal geometry names])
|
|---|
| 39 | AT_KEYWORDS([geometry])
|
|---|
| 40 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "0,0,0" --position "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 41 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 42 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 43 | AT_CHECK([../../molecuilder --dry-run --input-to-vector "1" --position "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
|
|---|
| 44 | AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
|
|---|
| 45 | AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
|
|---|
| 46 | AT_CLEANUP
|
|---|
