223 lines
6.3 KiB
C++
223 lines
6.3 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef DUMP_CLASS
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// clang-format off
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DumpStyle(image,DumpImage);
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// clang-format on
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#else
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#ifndef LMP_DUMP_IMAGE_H
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#define LMP_DUMP_IMAGE_H
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#include "dump_custom.h"
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namespace LAMMPS_NS {
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class DumpImage : public DumpCustom {
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public:
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int multifile_override; // used by write_dump command
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DumpImage(class LAMMPS *, int, char **);
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virtual ~DumpImage();
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int pack_forward_comm(int, int *, double *, int, int *);
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void unpack_forward_comm(int, int, double *);
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protected:
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int filetype;
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enum { PPM, JPG, PNG };
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int atomflag; // 0/1 for draw atoms
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int acolor, adiam; // what determines color/diam of atoms
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double adiamvalue; // atom diameter value
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int lineflag; // 0/1 for draw atoms as lines
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int lcolor, ldiam; // what determines color/diam of lines
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double ldiamvalue; // line diameter value
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int triflag; // 0/1 for draw atoms as triangles
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int tcolor, tstyle; // what determines color/style of tris
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double tdiamvalue; // tri edge diameter value
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int bodyflag; // 0/1 for draw atoms as bodies
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int bodycolor; // what determines color of bodies
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double bodyflag1, bodyflag2; // user-specified params for drawing bodies
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int fixflag; // 0/1 to draw what fix provides
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int fixcolor; // what determines color of fix objects
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double fixflag1, fixflag2; // user-specified params for fix objects
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int bondflag; // 0/1 for draw bonds
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int bcolor, bdiam; // what determines color/diam of bonds
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double bdiamvalue; // bond diameter value
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int extraflag; // 0/1 for any of line/tri/body flag set
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char *thetastr, *phistr; // variables for view theta,phi
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int thetavar, phivar; // index to theta,phi vars
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int cflag; // static/dynamic box center
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double cx, cy, cz; // fractional box center
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char *cxstr, *cystr, *czstr; // variables for box center
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int cxvar, cyvar, czvar; // index to box center vars
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char *upxstr, *upystr, *upzstr; // view up vector variables
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int upxvar, upyvar, upzvar; // index to up vector vars
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char *zoomstr; // view zoom variable name
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int zoomvar; // index to zoom variable
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int boxflag, axesflag; // 0/1 for draw box and axes
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double boxdiam, axeslen, axesdiam; // params for drawing box and axes
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int subboxflag;
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double subboxdiam;
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int viewflag; // overall view is static or dynamic
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double *diamtype, *diamelement, *bdiamtype; // per-type diameters
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double **colortype, **colorelement, **bcolortype; // per-type colors
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class AtomVecLine *avec_line; // ptrs to atom style (sub)classes
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class AtomVecTri *avec_tri;
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class AtomVecBody *avec_body;
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class Fix *fixptr; // ptr to Fix that provides image data
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class Image *image; // class that renders each image
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int *chooseghost; // extended choose array for comm
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double **bufcopy; // buffer for communicating bond/atom info
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int maxbufcopy;
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virtual void init_style();
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int modify_param(int, char **);
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void write();
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void box_center();
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void view_params();
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void box_bounds();
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void create_image();
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Invalid dump image filename
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The file produced by dump image cannot be binary and must
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be for a single processor.
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E: Support for writing images in JPEG format not included
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LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
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E: Support for writing images in PNG format not included
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LAMMPS was not built with the -DLAMMPS_PNG switch in the Makefile.
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Dump image bond not allowed with no bond types
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Self-explanatory.
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E: Invalid dump image theta value
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Theta must be between 0.0 and 180.0 inclusive.
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E: Dump image line requires atom style line
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Self-explanatory.
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E: Dump image tri requires atom style tri
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Self-explanatory.
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E: Dump image body yes requires atom style body
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Self-explanatory.
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E: Fix ID for dump image does not exist
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UNDOCUMENTED
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E: Dump image requires one snapshot per file
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Use a "*" in the filename.
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E: Dump image cannot perform sorting
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Self-explanatory.
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E: Variable name for dump image theta does not exist
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Self-explanatory.
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E: Variable for dump image theta is invalid style
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Must be an equal-style variable.
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E: Variable name for dump image phi does not exist
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Self-explanatory.
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E: Variable for dump image phi is invalid style
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Must be an equal-style variable.
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E: Variable name for dump image center does not exist
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Self-explanatory.
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E: Variable for dump image center is invalid style
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Must be an equal-style variable.
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E: Variable name for dump image zoom does not exist
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Self-explanatory.
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E: Variable for dump image zoom is invalid style
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Must be an equal-style variable.
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E: Invalid dump image element name
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The specified element name was not in the standard list of elements.
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See the dump_modify doc page.
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E: Invalid color map min/max values
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The min/max values are not consistent with either each other or
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with values in the color map.
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E: Invalid dump image zoom value
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Zoom value must be > 0.0.
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E: Invalid color in dump_modify command
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The specified color name was not in the list of recognized colors.
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See the dump_modify doc page.
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E: Dump modify bcolor not allowed with no bond types
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Self-explanatory.
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E: Dump modify bdiam not allowed with no bond types
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Self-explanatory.
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*/
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