add more extensive whitespace checking for fortran and unittests
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@ -19,8 +19,8 @@ g = gl(d) create OpenGL display for data in d
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d = atom snapshot object (dump, data)
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d = atom snapshot object (dump, data)
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g.bg("black") set background color (def = "black")
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g.bg("black") set background color (def = "black")
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g.size(N) set image size to NxN
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g.size(N) set image size to NxN
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g.size(N,M) set image size to NxM
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g.size(N,M) set image size to NxM
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g.rotate(60,135) view from z theta and azimuthal phi (def = 60,30)
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g.rotate(60,135) view from z theta and azimuthal phi (def = 60,30)
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g.shift(x,y) translate by x,y pixels in view window (def = 0,0)
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g.shift(x,y) translate by x,y pixels in view window (def = 0,0)
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g.zoom(0.5) scale image by factor (def = 1)
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g.zoom(0.5) scale image by factor (def = 1)
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@ -46,9 +46,9 @@ g.select = "" no extra aselect (default)
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%g varies from 0.0 to 1.0 from beginning to end of all()
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%g varies from 0.0 to 1.0 from beginning to end of all()
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g.acol(2,"green") set atom colors by atom type (1-N)
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g.acol(2,"green") set atom colors by atom type (1-N)
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g.acol([2,4],["red","blue"]) 1st arg = one type or list of types
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g.acol([2,4],["red","blue"]) 1st arg = one type or list of types
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g.acol(0,"blue") 2nd arg = one color or list of colors
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g.acol(0,"blue") 2nd arg = one color or list of colors
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g.acol(range(20),["red","blue"]) if list lengths unequal, interpolate
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g.acol(range(20),["red","blue"]) if list lengths unequal, interpolate
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g.acol(range(10),"loop") assign colors in loop, randomly ordered
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g.acol(range(10),"loop") assign colors in loop, randomly ordered
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@ -58,19 +58,19 @@ g.acol(range(10),"loop") assign colors in loop, randomly ordered
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g.arad([1,2],[0.5,0.3]) set atom radii, same rules as acol()
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g.arad([1,2],[0.5,0.3]) set atom radii, same rules as acol()
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g.bcol() set bond color, same args as acol()
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g.bcol() set bond color, same args as acol()
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g.brad() set bond thickness, same args as arad()
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g.brad() set bond thickness, same args as arad()
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g.tcol() set triangle color, same args as acol()
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g.tcol() set triangle color, same args as acol()
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g.tfill() set triangle fill, 0 fill, 1 line, 2 both
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g.tfill() set triangle fill, 0 fill, 1 line, 2 both
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g.lcol() set line color, same args as acol()
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g.lcol() set line color, same args as acol()
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g.lrad() set line thickness, same args as arad()
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g.lrad() set line thickness, same args as arad()
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g.adef() set atom/bond/tri/line properties to default
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g.adef() set atom/bond/tri/line properties to default
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g.bdef() default = "loop" for colors, 0.45 for radii
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g.bdef() default = "loop" for colors, 0.45 for radii
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g.tdef() default = 0.25 for bond/line thickness
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g.tdef() default = 0.25 for bond/line thickness
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g.ldef() default = 0 fill
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g.ldef() default = 0 fill
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by default 100 types are assigned
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by default 100 types are assigned
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if atom/bond/tri/line has type > # defined properties, is an error
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if atom/bond/tri/line has type > # defined properties, is an error
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@ -314,7 +314,7 @@ class gl:
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self.up[1] = sin(pi*self.azphi/180)
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self.up[1] = sin(pi*self.azphi/180)
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self.up[2] = 0.0
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self.up[2] = 0.0
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else:
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else:
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dot = self.view[2] # dot = (0,0,1) . view
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dot = self.view[2] # dot = (0,0,1) . view
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self.up[0] = -dot*self.view[0] # up projected onto v = dot * v
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self.up[0] = -dot*self.view[0] # up projected onto v = dot * v
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self.up[1] = -dot*self.view[1] # up perp to v = up - dot * v
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self.up[1] = -dot*self.view[1] # up perp to v = up - dot * v
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self.up[2] = 1.0 - dot*self.view[2]
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self.up[2] = 1.0 - dot*self.view[2]
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@ -20,24 +20,24 @@ from __future__ import print_function
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oneline = "Control VMD from python"
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oneline = "Control VMD from python"
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docstr = """
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docstr = """
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v = vmd() start up VMD
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v = vmd() start up VMD
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v.stop() shut down VMD instance
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v.stop() shut down VMD instance
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v.clear() delete all visualizations
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v.clear() delete all visualizations
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v.rep(style) set default representation style. One of
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v.rep(style) set default representation style. One of
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(Lines|VDW|Licorice|DynamicBonds|Points|CPK)
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(Lines|VDW|Licorice|DynamicBonds|Points|CPK)
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v.new(file[,type]) load new file (default file type 'lammpstrj')
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v.new(file[,type]) load new file (default file type 'lammpstrj')
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v.data(file[,atomstyle]) load new data file (default atom style 'full')
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v.data(file[,atomstyle]) load new data file (default atom style 'full')
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v.replace(file[,type]) replace current frames with new file
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v.replace(file[,type]) replace current frames with new file
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v.append(file[,type]) append file to current frame(s)
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v.append(file[,type]) append file to current frame(s)
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v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame
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v.set(snap,x,y,z,(True|False)) set coordinates from a pizza.py snapshot to new or current frame
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v.frame(frame) set current frame
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v.frame(frame) set current frame
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v.flush() flush pending input to VMD and update GUI
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v.flush() flush pending input to VMD and update GUI
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v.read(file) read Tcl script file (e.g. saved state)
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v.read(file) read Tcl script file (e.g. saved state)
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v.enter() enter interactive shell
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v.enter() enter interactive shell
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v.debug([True|False]) display generated VMD script commands?
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v.debug([True|False]) display generated VMD script commands?
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"""
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"""
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# History
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# History
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@ -24,11 +24,13 @@ include:
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- cmake/**
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- cmake/**
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- doc
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- doc
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- doc/src/**
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- doc/src/**
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- python
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- fortran/**
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- python/**
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- src/**
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- src/**
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- lib/**
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- lib/**
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- tools/coding_standard
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- tools/coding_standard
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- tools/python
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- tools/python
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- unittest/**
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exclude:
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exclude:
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- lib/colvars/Install.py
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- lib/colvars/Install.py
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- lib/gpu/geryon/file_to_cstr.sh
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- lib/gpu/geryon/file_to_cstr.sh
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