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2 

3""" 

4Location of datafiles for Membrane Curvature unit tests 

5======================================================= 

6 

7MD simulations files stored in `data` sub-directory. 

8 

9 from membrane_curvature.datafiles import * 

10""" 

11 

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] 

26 

27from pkg_resources import resource_filename 

28 

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') 

39 

40del resource_filename