Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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tests_file_location.h
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1 
7 /*
8  * File "tests_file_location.h", generated from "tests_file_location.h.in" to set paths for the tests
9  */
10 #ifndef TESTS_FILE_LOCATION_H
11 #define TESTS_FILE_LOCATION_H
12 
13 const char* const melatonin_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/melatonin.xyz";
14 const char* const plastocyanin_pdb_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/plastocyanin.pdb";
15 const char* const plastocyanin_H_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/plastocyanin_H.xyz";
16 const char* const melatonin_param_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/melatonin_parameters.dat";
17 const char* const melatonin_param_file_no_c6 = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/melatonin_parameters_no_c6.dat";
18 const char* const melatonin_connectivity_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/melatonin_connectivity.dat";
19 const char* const melatonin_connectivity_file_with_error = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/melatonin_connectivity_with_error.dat";
20 const char* const water_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/water.xyz";
21 const char* const water_param_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/water_parameters.dat";
22 const char* const dermcidin_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/dermcidin.xyz";
23 const char* const dermcidin_fragment_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/dermcidin_fragment.xyz";
24 const char* const alanine_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/alanine.xyz";
25 const char* const glutamine_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/glutamine.xyz";
26 const char* const guanidine_fragment_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/guanidine_fragment.xyz";
27 const char* const alanine_ref_calc_dir = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/alanine_reference_calculations";
28 const char* const glutamine_ref_calc_dir = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/glutamine_reference_calculations";
29 const char* const glutamine_titration_site_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/glutamine_titrable_sites.dat";
30 const char* const structure_preparation_dir = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/structure_preparation_data";
31 const char* const guanidine_fragment_ref_calc_dir = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/guanidine_fragment_reference_calculations";
32 const char* const atomic_information_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/atomic_information_file_example.txt";
33 const char* const butane_trajectory_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/butane_trj.xyz";
34 const char* const reference_energies_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/reference_energies_butane.dat";
35 const char* const reference_forces_butane_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/reference_forces_butane.dat";
36 const char* const reference_forces_insulin_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/reference_forces_insulin.dat";
37 const char* const insulin_xyz_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/insulin_chain_A.xyz";
38 const char* const insulin_connectivity_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/insulin_connectivity.dat";
39 const char* const insulin_parameter_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/insulin_parameters.dat";
40 const char* const gaff_parameter_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/gaff.dat";
41 const char* const gaff_dummy_atom_types_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/gaff_dummy_atom_types.dat";
42 const char* const qm_region_selection_yaml_file = "/fast_scratch/tweymuth/cache/scine/swoose/src/Swoose/Tests/Files/settings_qm_region_selection_direct.yaml";
43 
44 #endif // TESTS_FILE_LOCATION_H