6.3.5.2. DEFINING THE PLOT LAYOUT

next, previous Section / Table of Contents / Index Option [L] selected from the graphics option menu G, see Sec. 6.3.5, allows you to set the plot layout which includes a title line, a wire frame enclosing the cluster, and the modes labelling atoms. The layout option menu GL of BALSAC/CLUSTER sessions reads [T]itle(tt) [B]hidat(bb) [F]rame(ff) [L]abel(ll) {[X]plot} [?,]esc where the present setting of each option is shown by a flag in parentheses. This menu represents a slightly different version of submenu GL of BALSAC/LATTICE sessions. Option flag tt reads "on" or "off" depending on whether plots are to include a title line (cluster title, and viewing angle information). bb reads "on" or "off" depending on whether hidden atoms are sketched by white circles in plots. ff reads "on" or "off" depending on whether plots are to include a wire frame enclosing the cluster. ll reads "none", "elmt", or "nmbr" depending on whether atoms are shown in plots without labels ("none"), labelled by their element names ("elmt"), or labelled by their internal numbers ("nmbr"). > [T] selected from submenu GL switches the title line flag tt between "on" and "off" and shows the updated submenu GL. For tt = "on" a title line giving the cluster title and viewing angle information is added to the plot at the top of the screen (graphics window) and included in PostScript file output. > [B] selected from submenu GL switches the hidden atom sketch flag bb between "on" and "off" and shows the updated submenu GL. For bb = "on" all atoms of the cluster which have been hidden previously will be sketched by white circles in subsequent plots. This can help to find positions of hidden atoms in order to revive these atoms. > [F] selected from submenu GL switches the wire frame flag ff between "on" and "off" and shows the updated submenu GL. For ff = "on" plots will include a rectangular wire frame of black or white lines (depending on the background color) enclosing the cluster which is started at the beginning and completed at the end of the plot. The framing lines point parallel to the x, y, and z axes of the cartesian coordinate system used to describe the atom positions. > [L] selected from submenu GL switches the label flag ll periodically between "none", "elmt", and "nmbr" and shows the updated submenu GL. For ll = "none" no atom labelling will be included in plots while ll = "elmt" indicates that atoms are labelled by their element names ("H" for Hydrogen, "He" for Helium ...) in plots and ll = "nmbr" results in atoms being labelled by their internal number used to count the cluster atoms. The internal atom numbers are also used in the graphic analysis, see Sec. 6.3.12.2. > [X] selected from submenu GL (if available) plots the cluster (switching to graphics mode (DOS) or opening a graphics window (Unix)) or lists its atom coordinates depending on the plot/list mode defined in the graphics option, see Sec. 6.3.5. > [,] selected from submenu GL returns to the graphics option menu G, see Sec. 6.3.5. The settings of the title line, hidden atom sketch, and wire frame flags, tt, bb, ff (options [T], [B], [F] above), are shown by a joint label xxl appearing in "lout= xxl" inside the BALSAC/CLUSTER main option menu, see Sec. 6.3.0, and in "[L]ayout(pl/xxl)" inside the graphics option menu, see Sec. 6.3.5. Further, the three flags are represented internally (and in structure input/output files, see Sec. 6.4.3) by an integer IBFT. The following table lists all values of tt, ff together with their xxl and IBFT equivalents. --------------------------------------------------- tt bb ff xxl IBFT --------------------------------------------------- "off" "off" "off" "off" 0 "off" "off" " on" "--F" 1 "off" " on" "off" "-B-" 2 "off" " on" " on" "-BF" 3 " on" "off" "off" "T--" 4 " on" "off" " on" "T-F" 5 " on" " on" "off" "TB-" 6 " on" " on" " on" "TBF" 7 --------------------------------------------------- The setting of the label flag ll, (option [L] above), is shown by label pl appearing in "colr= nb/ np pl" inside the BALSAC/CLUSTER main option menu, see Sec. 6.3.0, and in "[L]ayout(pl/xxl)" inside the graphics option menu, see Sec. 6.3.5. Further, the flag is represented internally (and in structure input/output files, see Sec. 6.4.3) by an integer ICLC. The following table lists all values of ll together with their pl and ICLC equivalents. ----------------------------- ll pl ICLC ----------------------------- "none" "E-" 1 "elmt" "EE" 2 "nmbr" "EN" 3 ----------------------------- next, previous Section / Table of Contents / Index