Updates to flev svg rendering

Now many components return a svg_container_t.
There are still problems with scaling and offset, but this
incarnation does the residue circles now.

api/molecules-container-ligand-fitting.cc

@@ -546,7 +546,8 @@ molecules_container_t::get_svg_for_residue_type(int imol, const std::string &com
                } else {
                   svg_molecule_t svg;
                   svg.import_rdkit_mol(&mol, iconf);
-                  s = svg.render_to_svg_string(dark_bg_flag);
+                  double sf = 400.0;
+                  s = svg.render_to_svg_string(sf, dark_bg_flag);
                   ligand_svg_store[key] = s;
                }
             } else {
@@ -577,7 +578,8 @@ molecules_container_t::get_svg_for_residue_type(int imol, const std::string &com
                   svg_molecule_t svg;
                   svg.import_rdkit_mol(&rdkit_mol, conformer_id);
                   dark_bg_flag = false;
-                  s = svg.render_to_svg_string(dark_bg_flag);
+                  double sf = 400.0;
+                  s = svg.render_to_svg_string(sf, dark_bg_flag);
                }
                ligand_svg_store[key] = s;
             }

lidia-core/svg-container.hh

@@ -1,11 +1,13 @@
+#ifndef COOT_LIDIA_CORE_SVG_CONTAINER_HH
+#define COOT_LIDIA_CORE_SVG_CONTAINER_HH
 
 #include <string>
 
 class svg_container_t {
 
 public:
    svg_container_t() { init(); }
-   svg_container_t(const std::string &s) : svg(s) { init(); }
+   explicit svg_container_t(const std::string &s) : svg(s) { init(); }
    std::string svg;
    std::string svg_header_1;
    std::string svg_header_2;
@@ -36,8 +38,8 @@ public:
    void update_bounds(float min_xx, float min_yy, float max_xx, float max_yy) {
       if (min_xx < min_x) min_x = min_xx;
       if (min_yy < min_y) min_y = min_yy;
-      if (max_xx < max_x) max_x = max_xx;
-      if (max_yy < max_y) max_y = max_yy;
+      if (max_xx > max_x) max_x = max_xx;
+      if (max_yy > max_y) max_y = max_yy;
    }
 
    std::string make_viewbox_string() const {
@@ -54,6 +56,11 @@ public:
       svg += s;
    }
 
+   void add(const svg_container_t &svgc_in) {
+      svg += svgc_in.svg;
+      update_bounds(svgc_in.min_x, svgc_in.min_y, svgc_in.max_x, svgc_in.max_y);
+   }
+
    std::string compose() const {
 
       std::string s = svg_header_1;
@@ -66,3 +73,6 @@ public:
 
 };
 
+
+
+#endif // SVG_COOT_LIDIA_CORE_CONTAINER_HH

lidia-core/svg-molecule.cc

@@ -849,17 +849,18 @@ svg_atom_t::make_text_item(const lig_build::atom_id_info_t &atom_id_info,
 }
 
 std::string
-svg_molecule_t::render_to_svg_string(bool dark_background_flag) {
+svg_molecule_t::render_to_svg_string(double sf, bool dark_background_flag) {
 
-  svg_container_t s = make_svg(dark_background_flag);
+   // 20241002-PE note sf was 400.0;
+   svg_container_t s = make_svg(sf, dark_background_flag);
 
   return s.compose();
 
 }
 
 
 svg_container_t
-svg_molecule_t::make_svg(bool dark_background_flag) {
+svg_molecule_t::make_svg(double sf, bool dark_background_flag) {
 
    auto make_bond_comment = [] (unsigned int bond_idx, const svg_bond_t &bond) {
       std::string s("<!-- ");
@@ -885,7 +886,6 @@ svg_molecule_t::make_svg(bool dark_background_flag) {
 
    svg_container_t svg;
 
-   double sf = 400.0; // scale factor
    std::string s; // this can be removed, I think, now
    s.reserve(2048);
    std::string svg_header_1 = "<svg xmlns=\"http://www.w3.org/2000/svg\"\n    xmlns:xlink=\"http://www.w3.org/1999/xlink\" ";

lidia-core/svg-molecule.hh

@@ -94,8 +94,8 @@ class svg_molecule_t : public lig_build::molecule_t<svg_atom_t, svg_bond_t> {
 public:
    svg_molecule_t() { median_bond_length_ = 1.0; }
    void import_rdkit_mol(RDKit::ROMol *mol, int iconf);
-   std::string render_to_svg_string(bool dark_background_flag);
-   svg_container_t make_svg(bool dark_background_flag);
+   std::string render_to_svg_string(double scale_factor, bool dark_background_flag);
+   svg_container_t make_svg(double scale_factor, bool dark_background_flag);
    double median_bond_length_;
    double get_scale() const;