[Ifeffit] error message when trying to reopen Artemis file

Bruce Ravel bravel at bnl.gov
Fri Dec 2 08:01:06 CST 2016 

Marcus,

Your cif file triggered a very specific bug in my software that has 
nothing to do with your recent difficulties.

Had you picked almost any other cif file for any other material, you 
would have been fine.

I am guessing you chose this one:

   http://www.crystallography.net/cod/cod/cif/7/20/60/7206075.cif

or something very similar.  Demeter makes a mistake parsing the space 
group symbol in that file.

Try this:

   http://cars9.uchicago.edu/atomsdb/TiO2-ana.inp

It seems to work correctly without triggering the specific problem that 
the cif file triggers which, again, has to do with the specific symbol 
used and how Demeter parses it.


Thanks for reporting this.  I'll work on it.

B

On 12/02/2016 06:07 AM, mfehse wrote:
> Hi
>
> so i have created a little Artemis project to practice. Its tio2 data
> file with anatase cif file, i just included teh first path but havent
> done any fitting yet. When i close artemis and want to reopen it I get
> the following error:
>
> "You must define a method name at
> /usr/lib/i386-linux-gnu/perl5/5.22/Class/MOP/Mixin/HasMethods.pm line 96
>     Class::MOP::Mixin::HasMethods::has_method('Class::MOP::Class::Immutable::Moose::Meta::Class::__ANON__::SERIAL::1=HASH(0xe06c454)',
> '') called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/Atoms.pm
> line 442
>     Demeter::Atoms::parse_line('Demeter::Atoms=HASH(0x106b5394)', ' :')
> called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/Atoms.pm
> line 465
>     Demeter::Atoms::parse_line('Demeter::Atoms=HASH(0x106b5394)', 'space
> = I 41/a m d :1') called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/Atoms.pm
> line 390
>     Demeter::Atoms::read_inp('Demeter::Atoms=HASH(0x106b5394)') called
> at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/Atoms.pm
> line 200
>     Demeter::Atoms::__ANON__('Demeter::Atoms=HASH(0x106b5394)',
> '/home/marquinhos/.horae/stash/_dem_djyzliqy/feff/gflkw/atoms.inp', '')
> called at accessor Demeter::Atoms::file (defined at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/Atoms.pm
> line 204) line 10
>     Demeter::Atoms::file('Demeter::Atoms=HASH(0x106b5394)',
> '/home/marquinhos/.horae/stash/_dem_djyzliqy/feff/gflkw/atoms.inp')
> called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/UI/Atoms/Xtal.pm
> line 667
>     Demeter::UI::Atoms::Xtal::open_file('Demeter::UI::Atoms::Xtal=HASH(0x1312b8e0)',
> '/home/marquinhos/.horae/stash/_dem_djyzliqy/feff/gflkw/atoms.inp')
> called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/UI/Artemis.pm
> line 1388
>     Demeter::UI::Artemis::make_feff_frame('Wx::Frame=HASH(0x127f5b3c)',
> '/home/marquinhos/.horae/stash/_dem_djyzliqy/feff/gflkw/atoms.inp',
> 1010942) called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/UI/Artemis/Project.pm
> line 351
>     Demeter::UI::Artemis::Project::read_project('HASH(0x102e8084)',
> '/home/marquinhos/Desktop/TIO2_tryout.fpj') called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/UI/Artemis.pm
> line 1026
>     Demeter::UI::Artemis::OnMenuClick('Wx::Frame=HASH(0x127f5b3c)',
> 'Wx::CommandEvent=SCALAR(0x12ab14cc)') called at
> /home/marquinhos/perl5/lib/perl5/i686-linux-gnu-thread-multi-64int/Demeter/UI/Artemis.pm
> line 440
>     Demeter::UI::Artemis::__ANON__('Wx::Frame=HASH(0x127f5b3c)',
> 'Wx::CommandEvent=SCALAR(0x12ab14cc)') called at demeter/bin/dartemis
> line 31
>     eval {...} at demeter/bin/dartemis line 31
> "
>
> i have attached the project so you can try if you can open it on your
> artemis
>
> many thanks
>
> marcus
>
> On 01/12/2016 19:26, Bruce Ravel wrote:
>> On 12/01/2016 01:20 PM, mfehse wrote:
>>>
>>> and am now able to launch the athena and it seems to work, however i
>>> still get the error message:
>>> "Could not find Larch Server -- falling back to Ifeffit"
>>> is this something i should care about?
>>
>> Nope.
>>
>> It's a message that will eventually go away.  Right now, Matt and I
>> are working on migrating to Larch.  This week we have been figuring
>> out how to make Athena's interaction with Larch work reliably.  That
>> message is there so that I know what is going on while I am working on
>> the code. In this case, it is Demeter telling you that it is
>> gracefully recognizing that you do not have Larch installed.
>>
>> If you don't want to be looking at the head of the main branch, then
>> you could download the zip file for the most recently tagged release:
>> https://github.com/bruceravel/demeter/tree/0.9.25
>>
>> B
>>
>>
>> --
>>  Bruce Ravel  ------------------------------------ bravel at bnl.gov
>>
>>  National Institute of Standards and Technology
>>  Synchrotron Science Group at NSLS-II
>>  Building 743, Room 114
>>  Upton NY, 11973
>>
>>  Homepage:    http://bruceravel.github.io/home/
>>  Software:    https://github.com/bruceravel
>>  Demeter:     http://bruceravel.github.io/demeter/
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>
>
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-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 743, Room 114
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/

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