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3"""
4Location of datafiles for Membrane Curvature unit tests
5=======================================================
7MD simulations files stored in `data` sub-directory.
9 from membrane_curvature.datafiles import *
10"""
12__all__ = [
13 # From lower to higher complexity
14 "GRO_PO4_SMALL", # Gromacs file of PO4 beads in POPC POPE membrane with 10 lipids
15 "XTC_PO4_SMALL", # Gromacs traj file of PO4 beacs in POPC POPE membrane with 10 lipids with indexes inverted.
16 "MEMB_GRO", # Gromacs file patch of big membrane in squared cell of ~ 240 A dimensions
17 "MEMB_XTC", # Gromacs trajectory file of big membrane.
18 "GRO_PO4", # Gromacs file of PO4 beads in POPC POPE membrane with 914 lipids
19 "XTC_PO4", # Gromacs trajectory of GRO_PO4
20 "GRO_MEMBRANE_PROTEIN", # Gromacs file of POPC POPE CHOL membrane
21 "XTC_MEMBRANE_PROTEIN" # Gromacs trajectory of 10 frames.
22 "XTC_MEMBPROT_FIT", # Gromacs trajectory with rotational and translation fit
23 "GRO_MEMBPROT_FIT" # Gromacs coordinates to load trajectory with fit
24]
26from pkg_resources import resource_filename
28# Membrane protein systems
29GRO_MEMBRANE_PROTEIN = resource_filename(__name__, '../data/test_curvature_abca1.gro')
30XTC_MEMBRANE_PROTEIN = resource_filename(__name__, '../data/test_curvature_abca1.xtc')
31# PO4 beads only
32GRO_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.gro')
33XTC_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.xtc')
34# big systems
35GRO_PO4_SMALL = resource_filename(__name__, '../data/test_po4_small.gro')
36XTC_PO4_SMALL = resource_filename(__name__, '../data/test_po4_small.xtc')
37# membrane-only
38MEMB_GRO = resource_filename(__name__, '../data/MEMB_traj_short.gro')
39MEMB_XTC = resource_filename(__name__, '../data/MEMB_traj_short.xtc')
40# membrane-protein
41GRO_MEMBPROT_FIT = resource_filename(__name__, '../data/Membrane_protein_fit.gro')
42XTC_MEMBPROT_FIT = resource_filename(__name__, '../data/Membrane_protein_fit.xtc')
44del resource_filename