xyz2eps Files

Usage: xyz2eps.py <xyz-file> [options]
  xyz2eps.py is utility which prints the geometry from xyz-file directly to the eps file format.
xyz2eps.py utility reads xyz file with extra information about unit cell.
The format of the xyz file is as follow:
  first line: number of atom <N>
  second line: unit cell inforamtion
  next <N> lines: <element symbol> <X> <Y> <Z>
where unit cell information is eather 3 floats (as a11 a22 a33) for orthorombic unit cell
either 9 floats (as a11 a12 a13 a21 a22 a23 a31 a32 a33) for non orthorombic unit cell.
Where aij are components of lattice vectors a1, a2, a3, i.e. ai=(ai1, ai2, ai3), i=1,3

  Optionally xyz2eps.py utility reads acc-file with information about extra objects.
The format of acc-file is as follow:
  first line: number of objects
  next lines: list of objects
Each object is described by:
  first line: <name of object> <number of points in object NP>
  second line: <attributes>
  next <NP>: list of X Y Z coordinates of the object
Where <name of object> may be "polygon" "rectpoints" "linepoints" "point"
to draw polygon, rectangle, line and point respectivelly.

  The <attributes> is line with next format:
attrs: [<key>=<value>] 
where [] means space separated list.
Current list of attributes is demonstrated in the next examples:
  To draw unfilled object by points with red color using line width 0.02 Ang:
attrs: color=1.00;0.00;0.00 width=0.02 filled=0
  To draw filled object by atom's indexes with magent color 
with translation along screen's x-axis. Here group attribute surves as a name
and hasn't influence at draw procedure.
attrs: group="5" filled=1 color=1.0;0.0;1.0 indexes=203;205;210;73;68 translate=1:0
  All filled objects are drawn before main geometry (i.e. under main layer),
all unfilled objects are drawn after main geometry (i.e. above main layer).


Options:
  -h, --help            show this help message and exit
  -a FILE               specify file name with accompaning information
                        about the sample's geometry, TODO:file-format
  -o FILE               specify output file, write output to FILE,
                        if not specified then save as
                        <xyz-file> with eps extention
  -v MODE, --view=MODE  may be: top, side, front, default == side
  -p <bool:bool>, --pbcxy=<bool:bool>
                        should we draw the periodicity in the
                        desiered directions as white stripes or not
  -l <bool:bool>, --lenxy=<bool:bool>
                        should we draw the length in the
                        desiered directions or not, works together
                        with --pbcxy, if pbc is required then the length
                        of unit cell is drawn otherwise
                        the length of sample
  -c <index_x:index_y>, --custom=<index_x:index_y>
                        in the simplest case to print 3D object on 2D plane
                        we can select two indexes x_index and y_index
                        from 3D point to make 2D point, each value may be
                        1 for x, 2 for y, 3 for z; -1 to invert x-axis, same
                        for y and z. --custom option cancels --view
  -m <i1:i2>;<j1:j2>;..., --measure=<i1:i2>;<j1:j2>;...
                        the list of indexes of two atoms as listed in
                        the xyz-file, used to draw mesure line(s) for each
                        index pair
  -n, --numbers         write atom indexes, starts from 1,2,3,..., default:
                        False
  -u, --unitcell        draw unit cell, default: False
  -z, --zvalues         draw z values of sample in different colors, default:
                        False
  -x                    draw red markers above each atom, used to prepare
                        draft for further bitmap tracing, default: False
  -f                    draw tiny balls and bonds i.e. draw frame, default:
                        False