mol_view_lines

mol_view_lines(mol)

Arguments

mol

Details

Value

References

Note

See also

Examples

##---- Should be DIRECTLY executable !! ---- ##-- ==> Define data, use random, ##-- or do help(data=index) for the standard data sets. ## The function is currently defined as mol_view_lines <- function(mol) { x <- double(2) y <- double(2) z <- double(2) nbonds <- length(mol$bonds) for (ibond in 1:nbonds) { bond <- mol$bonds[[ibond]] at1 <- bond$at1 at2 <- bond$at2 atom1 <- mol$atoms[[at1]] atom2 <- mol$atoms[[at2]] mx <- (atom1$x + atom2$x) / 2 my <- (atom1$y + atom2$y) / 2 mz <- (atom1$z + atom2$z) / 2 x[1] <- atom1$x x[2] <- mx y[1] <- atom1$y y[2] <- my z[1] <- atom1$z z[2] <- mz lines3d(x, y, z, color=PT.Color[[atom1$el]]) x[1] <- atom2$x y[1] <- atom2$y z[1] <- atom2$z lines3d(x, y, z, color=PT.Color[[atom2$el]]) } }