| 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | AT_BANNER([MoleCuilder - Molecules])
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| 19 |
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| 20 | # Save selected
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| 21 | m4_include([Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at])
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| 22 |
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| 23 | # Bonds from tremolo dbond file
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| 24 | m4_include([Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at])
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| 25 |
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| 26 | # Bonds from fragmentation bond file
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| 27 | m4_include([Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at])
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| 28 |
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| 29 | # change bond angle
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| 30 | m4_include([Molecules/ChangeBondAngle/testsuite-molecules-change-bond-angle.at])
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| 31 |
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| 32 | # copy molecule
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| 33 | m4_include([Molecules/Copy/testsuite-molecules-copy-molecule.at])
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| 34 |
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| 35 | # Storing adjacency info
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| 36 | m4_include([Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at])
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| 37 |
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| 38 | # Storing bond info
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| 39 | m4_include([Molecules/SaveBonds/testsuite-molecules-save-bonds.at])
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| 40 |
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| 41 | # Storing temperature
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| 42 | m4_include([Molecules/SaveTemperature/testsuite-molecules-save-temperature.at])
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| 43 |
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| 44 | # linear interpolation
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| 45 | m4_include([Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at])
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| 46 |
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| 47 | # Verlet force integration
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| 48 | m4_include([Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at])
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| 49 |
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| 50 | # Translation
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| 51 | m4_include([Molecules/Translation/testsuite-molecules-translation.at])
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| 52 |
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| 53 | # Translation - Periodic
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| 54 | m4_include([Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at])
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| 55 |
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| 56 | # remove whole molecules
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| 57 | m4_include([Molecules/Remove/testsuite-molecules-remove.at])
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| 58 |
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| 59 | # Rotate to Principal Axis System
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| 60 | m4_include([Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at])
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| 61 |
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| 62 | # rotate around one of its bond
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| 63 | m4_include([Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at])
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| 64 |
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| 65 | # Rotate around origin
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| 66 | m4_include([Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at])
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| 67 |
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| 68 | # Rotate around self
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| 69 | m4_include([Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at])
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| 70 |
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| 71 | # stretch one of its bond
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| 72 | m4_include([Molecules/StretchBond/testsuite-molecules-stretch-bond.at])
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| 73 | m4_include([Molecules/StretchBond/testsuite-molecules-stretch-bond-cyclic_bond.at])
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| 74 |
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| 75 | # anneal forces by one step
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| 76 | m4_include([Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at])
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