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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 "GRO_PO4_INVERTED_ID",
17 "GRO_PO4_MED", # Gromacs file of PO4 beads in POPC POPE membrane with 25 lipids
18 "GRO_PO4_BIG", # Gromacs file of PO4 beads in POPC POPE membrane with 50 lipids
19 "GRO_PO4", # Gromacs file of PO4 beads in POPC POPE membrane with 914 lipids
20 "XTC_PO4", # Gromacs trajectory of GRO_PO4
21 "GRO_MEMBRANE_PROTEIN", # Gromacs file of POPC POPE CHOL membrane
22 "XTC_MEMBRANE_PROTEIN" # Gromacs trajectory of 10 frames.
23 "XTC_MEMBPROT_FIT", # Gromacs trajectory with rotational and translation fit
24 "GRO_MEMBPROT_FIT" # Gromacs coordinates to load trajectory with fit
25]
27from pkg_resources import resource_filename
29# Membrane protein systems
30GRO_MEMBRANE_PROTEIN = resource_filename(__name__, '../data/test_curvature_abca1.gro')
31XTC_MEMBRANE_PROTEIN = resource_filename(__name__, '../data/test_curvature_abca1.xtc')
32# PO4 beads only
33GRO_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.gro')
34XTC_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.xtc')
35GRO_PO4_SMALL = resource_filename(__name__, '../data/test_po4_small.gro')
36XTC_PO4_SMALL = resource_filename(__name__, '../data/test_po4_small.xtc')
37GRO_MEMBPROT_FIT = resource_filename(__name__, '../data/Membrane_protein_fit.gro')
38XTC_MEMBPROT_FIT = resource_filename(__name__, '../data/Membrane_protein_fit.xtc')
40del resource_filename