Hide keyboard shortcuts

Hot-keys on this page

r m x p   toggle line displays

j k   next/prev highlighted chunk

0   (zero) top of page

1   (one) first highlighted chunk

1 

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 "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] 

25 

26from pkg_resources import resource_filename 

27 

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') 

43 

44del resource_filename