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README 2011-12-11 4.0 kB 11 weekly downloads
xyz2eps-1.0.5.zip 2011-12-11 40.7 kB 11 weekly downloads
ap-graphene-57-top.jpeg 2011-12-06 152.1 kB 11 weekly downloads
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xyz2eps-1.0.0.zip 2011-12-06 22.7 kB 11 weekly downloads
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
Source: README, updated 2011-12-11