add more extensive whitespace checking for fortran and unittests

This commit is contained in:
Axel Kohlmeyer
2022-10-04 04:11:39 -04:00
parent d7d2802061
commit bc6e42a610
12 changed files with 123 additions and 121 deletions

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@ -19,8 +19,8 @@ g = gl(d) create OpenGL display for data in d
d = atom snapshot object (dump, data) d = atom snapshot object (dump, data)
g.bg("black") set background color (def = "black") g.bg("black") set background color (def = "black")
g.size(N) set image size to NxN g.size(N) set image size to NxN
g.size(N,M) set image size to NxM g.size(N,M) set image size to NxM
g.rotate(60,135) view from z theta and azimuthal phi (def = 60,30) g.rotate(60,135) view from z theta and azimuthal phi (def = 60,30)
g.shift(x,y) translate by x,y pixels in view window (def = 0,0) g.shift(x,y) translate by x,y pixels in view window (def = 0,0)
g.zoom(0.5) scale image by factor (def = 1) g.zoom(0.5) scale image by factor (def = 1)
@ -46,9 +46,9 @@ g.select = "" no extra aselect (default)
%g varies from 0.0 to 1.0 from beginning to end of all() %g varies from 0.0 to 1.0 from beginning to end of all()
g.acol(2,"green") set atom colors by atom type (1-N) g.acol(2,"green") set atom colors by atom type (1-N)
g.acol([2,4],["red","blue"]) 1st arg = one type or list of types g.acol([2,4],["red","blue"]) 1st arg = one type or list of types
g.acol(0,"blue") 2nd arg = one color or list of colors g.acol(0,"blue") 2nd arg = one color or list of colors
g.acol(range(20),["red","blue"]) if list lengths unequal, interpolate g.acol(range(20),["red","blue"]) if list lengths unequal, interpolate
g.acol(range(10),"loop") assign colors in loop, randomly ordered g.acol(range(10),"loop") assign colors in loop, randomly ordered
@ -58,19 +58,19 @@ g.acol(range(10),"loop") assign colors in loop, randomly ordered
g.arad([1,2],[0.5,0.3]) set atom radii, same rules as acol() g.arad([1,2],[0.5,0.3]) set atom radii, same rules as acol()
g.bcol() set bond color, same args as acol() g.bcol() set bond color, same args as acol()
g.brad() set bond thickness, same args as arad() g.brad() set bond thickness, same args as arad()
g.tcol() set triangle color, same args as acol() g.tcol() set triangle color, same args as acol()
g.tfill() set triangle fill, 0 fill, 1 line, 2 both g.tfill() set triangle fill, 0 fill, 1 line, 2 both
g.lcol() set line color, same args as acol() g.lcol() set line color, same args as acol()
g.lrad() set line thickness, same args as arad() g.lrad() set line thickness, same args as arad()
g.adef() set atom/bond/tri/line properties to default g.adef() set atom/bond/tri/line properties to default
g.bdef() default = "loop" for colors, 0.45 for radii g.bdef() default = "loop" for colors, 0.45 for radii
g.tdef() default = 0.25 for bond/line thickness g.tdef() default = 0.25 for bond/line thickness
g.ldef() default = 0 fill g.ldef() default = 0 fill
by default 100 types are assigned by default 100 types are assigned
if atom/bond/tri/line has type > # defined properties, is an error if atom/bond/tri/line has type > # defined properties, is an error
@ -314,7 +314,7 @@ class gl:
self.up[1] = sin(pi*self.azphi/180) self.up[1] = sin(pi*self.azphi/180)
self.up[2] = 0.0 self.up[2] = 0.0
else: else:
dot = self.view[2] # dot = (0,0,1) . view dot = self.view[2] # dot = (0,0,1) . view
self.up[0] = -dot*self.view[0] # up projected onto v = dot * v self.up[0] = -dot*self.view[0] # up projected onto v = dot * v
self.up[1] = -dot*self.view[1] # up perp to v = up - dot * v self.up[1] = -dot*self.view[1] # up perp to v = up - dot * v
self.up[2] = 1.0 - dot*self.view[2] self.up[2] = 1.0 - dot*self.view[2]

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@ -20,24 +20,24 @@ from __future__ import print_function
oneline = "Control VMD from python" oneline = "Control VMD from python"
docstr = """ docstr = """
v = vmd() start up VMD v = vmd() start up VMD
v.stop() shut down VMD instance v.stop() shut down VMD instance
v.clear() delete all visualizations v.clear() delete all visualizations
v.rep(style) set default representation style. One of v.rep(style) set default representation style. One of
(Lines|VDW|Licorice|DynamicBonds|Points|CPK) (Lines|VDW|Licorice|DynamicBonds|Points|CPK)
v.new(file[,type]) load new file (default file type 'lammpstrj') v.new(file[,type]) load new file (default file type 'lammpstrj')
v.data(file[,atomstyle]) load new data file (default atom style 'full') v.data(file[,atomstyle]) load new data file (default atom style 'full')
v.replace(file[,type]) replace current frames with new file v.replace(file[,type]) replace current frames with new file
v.append(file[,type]) append file to current frame(s) v.append(file[,type]) append file to current frame(s)
v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame
v.frame(frame) set current frame v.frame(frame) set current frame
v.flush() flush pending input to VMD and update GUI v.flush() flush pending input to VMD and update GUI
v.read(file) read Tcl script file (e.g. saved state) v.read(file) read Tcl script file (e.g. saved state)
v.enter() enter interactive shell v.enter() enter interactive shell
v.debug([True|False]) display generated VMD script commands? v.debug([True|False]) display generated VMD script commands?
""" """
# History # History

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@ -24,11 +24,13 @@ include:
- cmake/** - cmake/**
- doc - doc
- doc/src/** - doc/src/**
- python - fortran/**
- python/**
- src/** - src/**
- lib/** - lib/**
- tools/coding_standard - tools/coding_standard
- tools/python - tools/python
- unittest/**
exclude: exclude:
- lib/colvars/Install.py - lib/colvars/Install.py
- lib/gpu/geryon/file_to_cstr.sh - lib/gpu/geryon/file_to_cstr.sh