Read, create, manipulate SPARTA surf files.
The cdata tool reads and writes SPARTA data files which contain surface element information. It enables the creation of geometric surface objects for input to SPARTA.
The sdata constructor reads in the specified SPARTA surface file. With no argument, an empty sdata object is created which can have objects added to it later, and then be written out.
An sdata object contains one or more "objects". Each object has a unique user-assigned ID. 2d objects are made of points and line segments. 3d objects are made of points and triangles. When objects are written to a SPARTA surface file, the list of points and lines or triangles are all that is written. The IDs are not written, though a SPARTA command assigns its own ID to the surface file.
The circle(), rect(), tri(), and spikycircle() methods create 2d objects, namely a circle, rectangle, triangle, and spiky circle. The latter is intially a perfect circle with each of its points displaced to random radial positions from Rmin to Rmax. The seed variable can be be set to seed the random number generator in a reproducible manner if desired.
The sphere(), box(), and spikysphere() methods create 3d objects, namely a sphere, rectangular box, and spiky sphere. The latter is intially a perfect sphere with each of its points displaced to random radial positions from Rmin to Rmax. The seed variable can be be set to seed the random number generator in a reproducible manner if desired.
The surf2d() and surf3d() methods create arbitrary 2d or 3d surface objects from lists of points and lists of lines or triangles. Note that to be compatible with SPARTA, objects should be closed and "watertight". This means that in 2d every point has exactly 2 lines connected to it. In 3d, every edge bewteen 2 points is part of exactly two triangles.
The center(), trans(), rotate(), and scale() methods are used to perform a geometric transformation on the points of an object. The union() method creates a new object with a new ID from a list of objects. The delete(), rename(), and copy() methods manipulate the IDs of previously defined objects.
Be default all objects are selected when created. The select() and unselect() methods can be used to select a subset of existing objects. The write() and append() methods write out selected objects to a file.
The iterator() and viz() methods are called by Pizza.py tools that visualize objects and particles (e.g. gl, raster, svg tools). Only selected objects are returned to the caller. A sdata file can be visualzed similarly to a snapshots from a dump file. In the case of an sdata file, there is only a single snapshot with index 0.
The grid() method can be used to define a 2d or 3d regular grid of lines that will be included in the output when the viz() method is called by other Pizza.py tools. This can correspond to the grid used by SPARTA to track particle motion.
s = sdata() create a surf data object s = sdata(ID,"mem.surf") read in one or more SPARTA surf files s = sdata(ID,"mem.part.gz mem.surf") can be gzipped s = sdata(ID,"mem.*") wildcard expands to multiple files s.read(ID,"mem.surf") read in one or more data files
all surf data in files becomes one surf with ID surf files contain the following kinds of entries in SPARTA format points and lines (for 2d), points and triangles (for 3d) read() has same argument options as constructor
s.seed = 48379 set random # seed (def = 12345) s.circle(ID,x,y,r,n) create a 2d circle with N lines and ID s.rect(ID,x1,y1,x2,y2,nx,ny) create a 2d rect, 2 corner pts, Nx,Ny segs s.tri(ID,x1,y1,x2,y2,x3,y3,n1,n2,n3) create a 2d tri, 3 pts, N1,N2,N3 segs s.sphere(ID,x,y,z,r,n) create a 3d sphere with NxN sqs per face s.box(ID,x1,y1,z1,x2,y2,z2,nx,ny,nz) 3d box, 2 corner pts, Nx,Ny,Nz per face s.spikycircle(ID,x,y,rmin,rmax,n) 2d circle, N lines, Rmin <= rad <= Rmax s.spikysphere(ID,x,y,z,rmin,rmax,n) 3d sphere, NxN sqs, Rmin <= rad <= Rmax
tri should be ordered so that (0,0,1) x (pt2-pt1) = outward normal spikycircle is same as circle, with each of N pts at random Rmin < rad < Rmax spikysphere is same as sphere, with each surf pt at random Rmin < rad < Rmax
s.surf2d(ID,plist,llist) create a custom 2d surf s.surf3d(ID,plist,tlist) create a custom 3d surf
each point in plist is (x,y) for 2d or (x,y,z) for 3d each line in llist is (i,j) for C-style indices into plist each triangle in tlist is (i,j,k) for C-style indices into plist
s.center(ID,x,y,z) set center point of surf s.trans(ID,dx,dy,dz) translate surf and its center point s.rotate(ID,theta,Rx,Ry,Rz) rotate surf by theta around R vector s.scale(ID,sx,sy,sz) scale a surf around center point s.invert(ID) invert normal direction of surf
default center for created surfs is the x,y,z or geometric center default center for read-in surf is center of bounding box of all points rotation and scaling of surf are relative to its center point
s.join(ID,id1,id2,...) combine id1,id2,etc into new surf with ID s.delete(id1,id2,...) delete one or more surfs s.rename(ID,IDnew) rename a surf s.copy(ID,IDnew) create a new surf as copy of old surf
join does not delete id1,id2,etc center for joined surf becomes center of bounding box of all points
s.select(id1,id2,...) select one or more surfs s.select() select all surfs s.unselect(id1,id2,...) unselect one or more surfs s.unselect() unselect all surfs
selection applies to write() and viz() surfs are selected by default when read or created
s.write("file") write all selected surfs to SPARTA file s.write("file",id1,id2,...) write only listed & selected surfs to file
s.grid(xlo,xhi,ylo,yhi,ny,ny) bounding box and Nx by Ny grid s.grid(xlo,xhi,ylo,yhi,zlo,zhi,ny,ny,nz) ditto for 3d s.gridfile(xlo,xhi,ylo,yhi,file) bbox and SPARTA-formatted parent grid file s.gridfile(xlo,xhi,ylo,yhi,zlo,zhi,file) ditto for 3d
grid command superpose a grid, for viz only also changes bounding box to xyzlo to xyzhi
index,time,flag = s.iterator(0/1) loop over single snapshot time,box,atoms,bonds,tris,lines = s.viz(index) return list of viz objects
iterator() and viz() are compatible with equivalent dump calls iterator() called with arg = 0 first time, with arg = 1 on subsequent calls index = timestep index within dump object (only 0 for data file) time = timestep value (only 0 for data file) flag = -1 when iteration is done, 1 otherwise viz() returns info for selected objs for specified timestep index (must be 0) time = 0 box = [xlo,ylo,zlo,xhi,yhi,zhi] = bounding box atoms = NULL bonds = NULL tris = id,type,x1,y1,z1,x2,y2,z2,x3,y3,z3,nx,ny,nz for each tri as 2d array NULL if triangles do not exist lines = id,type,x1,y1,z1,x2,y2,z2 for each line as 2d array NULL if lines do not exist types are assigned to each surf in ascending order
Related tools: none