Author: bugman
Date: Mon Apr 10 06:15:35 2006
New Revision: 2459
URL: http://svn.gna.org/viewcvs/relax?rev=2459&view=rev
Log:
Completion of task #3146, mapping parameters onto structure through Molmol
macros.
The task is located as https://gna.org/task/?func=detailitem&item_id=3146.
Arbitrary colour gradients are supported. To allow this, the 'colour_start'
and 'colour_end'
keyword arguments have been added to the 'molmol.write()' user function.
These can either be colour
names like 'red' or an RGB (red, green, blue) array such as [1.0, 1.0, 1.0]
which is white. The
file colour.py has been added to the base directory for colour support. It
contains two functions,
the first being 'self.linear_gradient()' which takes a value between zero and
one and determines the
RGB vector of that value when zero is the start colour and one is the end
colour. The second
function, 'self.rgb()' takes a string representing a colour and translates it
to an RGB array.
For the 'classic' style, only the mapping of model-free parameters is
currently supported. The
function 'self.molmol_macro_classic()' has been added to the model-free
specific code. A number of
auxiliary functions 'self.molmol_macro_classic_*()' are called by this main
function to generate the
Molmol commands for colouring, setting the width, and setting the style of
backbone bonds, for
creating the Molmol macro header, and for translating order parameters,
correlation times, and
chemical exchange into values between zero and one for the colour gradients.
A number of new RelaxError objects have been created for the colours, etc.
Added:
1.2/colour.py
Modified:
1.2/docs/latex/docstring.tex
1.2/docs/relax.pdf
1.2/errors.py
1.2/generic_fns/molmol.py
1.2/prompt/molmol.py
1.2/relax
1.2/specific_fns/model_free.py
[This mail would be too long, it was shortened to contain the URLs only.]
Added: 1.2/colour.py
URL: http://svn.gna.org/viewcvs/relax/1.2/colour.py?rev=2459&view=auto
Modified: 1.2/docs/latex/docstring.tex
URL:
http://svn.gna.org/viewcvs/relax/1.2/docs/latex/docstring.tex?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/docs/relax.pdf
URL:
http://svn.gna.org/viewcvs/relax/1.2/docs/relax.pdf?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/errors.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/errors.py?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/generic_fns/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/molmol.py?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/prompt/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/prompt/molmol.py?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/relax
URL:
http://svn.gna.org/viewcvs/relax/1.2/relax?rev=2459&r1=2458&r2=2459&view=diff
Modified: 1.2/specific_fns/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/specific_fns/model_free.py?rev=2459&r1=2458&r2=2459&view=diff
r2459 - in /1.2: ./ docs/ docs/latex/ generic_fns/ prompt/ specific_fns/