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/*
* validation-graphs/sequence-view-widget.cc
*
* Copyright 2023 by Global Phasing Ltd.
* Author: Jakub Smulski
*
* This file is part of Coot
*
* This program is free software; you can redistribute it and/or modify
* it under the terms of the GNU Lesser General Public License as published
* by the Free Software Foundation; either version 3 of the License, or (at
* your option) any later version.
*
* This program is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* Lesser General Public License for more details.
*
* You should have received a copies of the GNU General Public License and
* the GNU Lesser General Public License along with this program; if not,
* write to the Free Software Foundation, Inc., 51 Franklin Street,
* Fifth Floor, Boston, MA, 02110-1301, USA.
* See http://www.gnu.org/licenses/
*
*/
#include <gtk/gtk.h>
#include "cairo.h"
#include "sequence-view-widget.hh"
#include "coot-utils/coot-coord-utils.hh"
const float RESIDUE_BOX_HEIGHT = 12.0;
const float RESIDUE_BOX_WIDTH = 12.0;
const float Y_OFFSET_PER_CHAIN = 16.0;
const float X_OFFSET_PER_RESIDUE = 12.0;
const float TICK_LINE_WIDTH = 2.0;
const float TICK_LINE_LENGTH = 8.0;
const float X_OFFSET_BASE = 30.0;
#ifdef __APPLE__
const float Y_OFFSET_BASE = 26.0;
const float TICK_TEXT_BOTTOM_EXTRA_OFFSET = -6.0;
#else
const float TICK_TEXT_BOTTOM_EXTRA_OFFSET = -6.0;
const float Y_OFFSET_BASE = 20.0;
#endif
struct _CootSequenceView {
GtkWidget parent;
int imol;
mmdb::Manager *mol;
std::vector<sv3_box_info_t> box_info_store;
};
static guint sequence_view_residue_clicked_signal;
// C++ API - should this be in the header? It is of no use execpt to functions in this file.
std::pair<bool, coot::residue_spec_t> find_the_clicked_residue(CootSequenceView *sv, float x, float y);
G_BEGIN_DECLS
G_DEFINE_TYPE(CootSequenceView, coot_sequence_view, GTK_TYPE_WIDGET)
void coot_sequence_view_snapshot(GtkWidget *widget, GtkSnapshot *snapshot) {
CootSequenceView* self = COOT_COOT_SEQUENCE_VIEW(widget);
self->box_info_store.clear();
PangoLayout* pango_layout = pango_layout_new(gtk_widget_get_pango_context(widget));
auto add_chain_label = [pango_layout] (cairo_t *cairo_canvas, const std::string &chain_id, const std::string &text_colour,
float x_base, float y_base) {
GdkRGBA residue_color; // maybe per-residue colouring later
gdk_rgba_parse(&residue_color, text_colour.c_str());
cairo_set_source_rgb(cairo_canvas, residue_color.red, residue_color.green, residue_color.blue);
std::string label_markup = std::string("<span weight=\"bold\">") + chain_id + std::string("</span>");
pango_layout_set_markup(pango_layout, label_markup.c_str(), -1);
int layout_width, layout_height;
pango_layout_get_pixel_size(pango_layout, &layout_width, &layout_height);
cairo_move_to(cairo_canvas, x_base +2 , y_base - 2);
pango_cairo_show_layout(cairo_canvas, pango_layout);
};
auto get_min_max_residue_number = [] (mmdb::Model *model_p) {
int n_chains = model_p->GetNumberOfChains();
std::pair<int, int> min_max(10000, -10000);
bool min_max_was_set = false;
for (int ichain=0; ichain<n_chains; ichain++) {
mmdb::Chain *chain_p = model_p->GetChain(ichain);
std::pair<bool, std::pair<int, int> > min_max_for_chain = coot::util::min_max_residues_in_polymer_chain(chain_p);
if (min_max_for_chain.first) {
min_max_was_set = true;
if (min_max_for_chain.second.first < min_max.first) min_max.first = min_max_for_chain.second.first;
if (min_max_for_chain.second.second > min_max.second) min_max.second = min_max_for_chain.second.second;
}
}
return std::pair<bool, std::pair<int, int> > (min_max_was_set, min_max);
};
auto calculate_min_max_by_5s = +[] (const std::pair<int, int> &mm) {
int f5 = mm.first/5;
int f = f5 * 5;
int s5 = mm.second/5;
int s = s5 * 5;
if (f > mm.first) f -= 5;
if (s < mm.second) f += 5;
return std::pair<int, int>(f, s);
};
auto add_tick_marks = [calculate_min_max_by_5s, get_min_max_residue_number]
(cairo_t *cairo_canvas, mmdb::Model *model_p, bool use_dark_mode_flag) {
double greyness = 0.2;
if (use_dark_mode_flag) greyness = 0.8;
cairo_set_source_rgb(cairo_canvas, greyness, greyness, greyness);
std::pair<bool, std::pair<int, int> > mm = get_min_max_residue_number(model_p);
int n_chains = model_p->GetNumberOfChains();
bool min_max_was_set = mm.first;
if (min_max_was_set) {
// calculate these, rounding up to the nearest 5
std::pair<int, int> mmr = calculate_min_max_by_5s(mm.second);
int res_no_start = mmr.first;
int res_no_end = mmr.second; // inclusive, less than or equal to the max residue number
cairo_set_line_width(cairo_canvas, TICK_LINE_WIDTH);
for (int ires = res_no_start; ires<=res_no_end; ires+=5) {
// above the top line
double pos_x = X_OFFSET_BASE + X_OFFSET_PER_RESIDUE * static_cast<double>(ires-mm.second.first+1) + X_OFFSET_PER_RESIDUE/2;
// std::cout << "add_tick_marks(): ires: " << ires << " pos_x " << pos_x << std::endl;
double pos_y_start = Y_OFFSET_BASE - 1.0;
double pos_y_end = pos_y_start - TICK_LINE_LENGTH;
cairo_move_to(cairo_canvas, pos_x, pos_y_start);
cairo_line_to(cairo_canvas, pos_x, pos_y_end);
cairo_stroke(cairo_canvas);
// below the bottom line
pos_x = X_OFFSET_BASE + X_OFFSET_PER_RESIDUE * static_cast<double>(ires-mm.second.first+1) + X_OFFSET_PER_RESIDUE/2;
pos_y_start = Y_OFFSET_BASE + static_cast<double>(n_chains) * Y_OFFSET_PER_CHAIN + -2.0;
pos_y_end = pos_y_start + TICK_LINE_LENGTH;
cairo_move_to(cairo_canvas, pos_x, pos_y_start);
cairo_line_to(cairo_canvas, pos_x, pos_y_end);
cairo_stroke(cairo_canvas);
}
}
};
auto add_tick_labels = [calculate_min_max_by_5s, get_min_max_residue_number, pango_layout]
(cairo_t *cairo_canvas, mmdb::Model *model_p, bool use_dark_mode_flag) {
double greyness = 0.2;
if (use_dark_mode_flag) greyness = 0.8;
cairo_set_source_rgb(cairo_canvas, greyness, greyness, greyness);
int n_chains = model_p->GetNumberOfChains();
std::pair<bool, std::pair<int, int> > mm = get_min_max_residue_number(model_p);
bool min_max_was_set = mm.first;
if (min_max_was_set) {
// as above
// calculate these, rounding up to the nearest 5
std::pair<int, int> mmr = calculate_min_max_by_5s(mm.second);
int res_no_start = mmr.first;
int res_no_end = mmr.second; // inclusive, less than or equal to the max residue number
for (int ires = res_no_start; ires<=res_no_end; ires+=5) {
// above the top line
double pos_x = X_OFFSET_BASE + X_OFFSET_PER_RESIDUE * static_cast<double>(ires-mm.second.first+1) + X_OFFSET_PER_RESIDUE/2;
std::string text = std::to_string(ires);
float l = text.length();
pos_x -= 3.5 * l ; // so that the text is centred on the tick.
double pos_y = Y_OFFSET_BASE - 16.0 - TICK_LINE_LENGTH;
cairo_move_to(cairo_canvas, pos_x, pos_y);
pango_layout_set_markup(pango_layout, text.c_str(), -1);
pango_cairo_show_layout(cairo_canvas, pango_layout);
// below the bottom line
pos_y = Y_OFFSET_BASE - TICK_TEXT_BOTTOM_EXTRA_OFFSET + TICK_LINE_LENGTH + Y_OFFSET_PER_CHAIN * n_chains;
cairo_move_to(cairo_canvas, pos_x, pos_y);
pango_layout_set_markup(pango_layout, text.c_str(), -1);
pango_cairo_show_layout(cairo_canvas, pango_layout);
}
}
};
// This function is used from the loop below.
//
auto add_box_letter_code_label = [pango_layout] (cairo_t *cairo_canvas, mmdb::Residue *residue_p,
const std::string &text_colour, float x_base, float y_base) {
std::string res_name = residue_p->GetResName();
std::string slc = coot::util::three_letter_to_one_letter_with_specials(res_name);
GdkRGBA residue_color; // maybe per-residue colouring later
gdk_rgba_parse(&residue_color, text_colour.c_str());
cairo_set_source_rgb(cairo_canvas, residue_color.red, residue_color.green, residue_color.blue);
std::string label_markup = std::string("<tt>") + slc + std::string("</tt>");
pango_layout_set_markup(pango_layout, label_markup.c_str(), -1);
cairo_move_to(cairo_canvas, x_base +2.0 , y_base - 0.0); // I added the -10 here so that you can see that the text is under
// the boxes.
pango_cairo_show_layout(cairo_canvas, pango_layout);
};
if (self->mol) {
int imod = 1;
mmdb::Model *model_p = self->mol->GetModel(imod);
if (model_p) {
std::string text_colour = "#dddddd";
gboolean dark_mode_flag = FALSE;
g_object_get(gtk_settings_get_default(), "gtk-application-prefer-dark-theme", &dark_mode_flag, NULL);
if (dark_mode_flag == FALSE) text_colour = "#222222";
float w_pixels_rect = gtk_widget_get_size(GTK_WIDGET(self), GTK_ORIENTATION_HORIZONTAL);
float h_pixels_rect = gtk_widget_get_size(GTK_WIDGET(self), GTK_ORIENTATION_VERTICAL);
graphene_rect_t m_graphene_rect = GRAPHENE_RECT_INIT(0, 0, w_pixels_rect, h_pixels_rect);
cairo_t *cairo_canvas = gtk_snapshot_append_cairo(snapshot, &m_graphene_rect);
// Make the labels for the chains
//
int n_chains = model_p->GetNumberOfChains();
for (int ichain=0; ichain<n_chains; ichain++) {
mmdb::Chain *chain_p = model_p->GetChain(ichain);
std::string chain_id = chain_p->GetChainID();
float y_offset = Y_OFFSET_BASE + static_cast<float>(ichain) * Y_OFFSET_PER_CHAIN;
float X_OFFSET_BASE = 15.0;
add_chain_label(cairo_canvas, chain_id, text_colour, X_OFFSET_BASE, y_offset);
}
// slc labels for each residue
//
std::pair<bool, std::pair<int, int> > mm = get_min_max_residue_number(model_p);
for (int ichain=0; ichain<n_chains; ichain++) {
mmdb::Chain *chain_p = model_p->GetChain(ichain);
std::string chain_id = chain_p->GetChainID();
int n_res = chain_p->GetNumberOfResidues();
float y_offset = Y_OFFSET_BASE + static_cast<float>(ichain) * Y_OFFSET_PER_CHAIN;
for (int ires=0; ires<n_res; ires++) {
mmdb::Residue *residue_p = chain_p->GetResidue(ires);
if (residue_p) {
int res_no = residue_p->GetSeqNum();
float x_1 = static_cast<float>(res_no-mm.second.first+1) * X_OFFSET_PER_RESIDUE + X_OFFSET_BASE;
float y_1 = y_offset;
sv3_box_info_t box_info(self->imol, residue_p, x_1, y_1);
self->box_info_store.push_back(box_info);
add_box_letter_code_label(cairo_canvas, residue_p, text_colour, x_1, y_1);
}
}
}
add_tick_marks(cairo_canvas, model_p, dark_mode_flag);
add_tick_labels(cairo_canvas, model_p, dark_mode_flag);
cairo_destroy(cairo_canvas);
}
} else {
std::cout << "error in coot_sequence_view_snapshot() null mol " << std::endl;
}
g_object_unref(pango_layout);
}
gboolean sequence_view_query_tooltip(CootSequenceView* self,
gint x,
gint y,
gboolean keyboard_mode,
GtkTooltip* tooltip,
gpointer user_data) {
std::pair<bool, coot::residue_spec_t> p = find_the_clicked_residue(self, x, y);
if (false)
if (p.first)
std::cout << "query tooltip for " << p.second << std::endl;
return FALSE; // for now
}
// static
void on_sequence_view_left_click(GtkGestureClick* gesture_click,
gint n_press,
gdouble x,
gdouble y,
gpointer user_data) {
// user_data is the CootSequenceView* self.
//
CootSequenceView* self = COOT_COOT_SEQUENCE_VIEW(user_data);
std::pair<bool, coot::residue_spec_t> p = find_the_clicked_residue(self, x, y);
if (p.first) {
g_signal_emit(self,sequence_view_residue_clicked_signal,0,self->imol, &p.second);
}
}
static void coot_sequence_view_init(CootSequenceView* self) {
gtk_widget_set_has_tooltip(GTK_WIDGET(self),TRUE);
g_signal_connect(self, "query-tooltip", G_CALLBACK(sequence_view_query_tooltip), NULL);
GtkGesture* click_controller = gtk_gesture_click_new();
// GtkEventController* hover_controller = gtk_event_controller_motion_new();
// left mouse button
gtk_gesture_single_set_button(GTK_GESTURE_SINGLE(click_controller), GDK_BUTTON_PRIMARY);
g_signal_connect(click_controller, "pressed", G_CALLBACK(on_sequence_view_left_click), self);
// g_signal_connect(hover_controller,"motion",G_CALLBACK(on_hover),self);
gtk_widget_add_controller(GTK_WIDGET(self), GTK_EVENT_CONTROLLER(click_controller));
// gtk_widget_add_controller(GTK_WIDGET(self),GTK_EVENT_CONTROLLER(hover_controller));
}
static void coot_sequence_view_dispose(GObject* _self) {
CootSequenceView* self = COOT_COOT_SEQUENCE_VIEW(_self);
// clean up self here
self->box_info_store.clear();
G_OBJECT_CLASS(coot_sequence_view_parent_class)->dispose(_self);
}
void coot_sequence_view_measure(GtkWidget *widget,
GtkOrientation orientation,
int for_size,
int *minimum_size,
int *natural_size,
int *minimum_baseline,
int *natural_baseline) {
CootSequenceView* self = COOT_COOT_SEQUENCE_VIEW(widget);
if(!self->mol) {
return;
}
int imod = 1;
mmdb::Model *model_p = self->mol->GetModel(imod);
if(!model_p) {
return;
}
auto n_residues_and_n_chains = [] (mmdb::Model *model_p) {
int n_chains = model_p->GetNumberOfChains();
bool min_max_is_set = false;
std::pair<int, int> min_max(10000, -10000);
for (int ichain=0; ichain<n_chains; ichain++) {
mmdb::Chain *chain_p = model_p->GetChain(ichain);
std::pair<bool, std::pair<int, int> > mm = coot::util::min_max_residues_in_polymer_chain(chain_p);
if (mm.first) {
min_max_is_set = true;
if (mm.second.first < min_max.first) min_max.first = mm.second.first;
if (mm.second.second > min_max.second) min_max.second = mm.second.second;
}
}
if (min_max_is_set) {
return std::make_pair(min_max.second - min_max.first + 1, n_chains);
} else {
return std::make_pair(0,0);
}
};
std::pair<int, int> n_res_and_n_chains = n_residues_and_n_chains(model_p);
switch (orientation)
{
case GTK_ORIENTATION_HORIZONTAL:
{
float w_pixels_rect = n_res_and_n_chains.first * X_OFFSET_PER_RESIDUE + X_OFFSET_BASE ; // w and h of the box it sits in
// we need this pixel limit otherwise there is crash.
// Split and repeat the blocks every 2000 residues. How hard can that be?
int pixel_limit = 32000; // Max residue number about 2660.
if (w_pixels_rect > pixel_limit)
w_pixels_rect = pixel_limit;
*minimum_size = 60.0f + w_pixels_rect;
*natural_size = 60.0f + w_pixels_rect;
break;
}
case GTK_ORIENTATION_VERTICAL:
{
int n_chains = n_res_and_n_chains.second;
if (n_chains > 10) n_chains = 10;
float h_pixels = n_chains * Y_OFFSET_PER_CHAIN + Y_OFFSET_BASE + 60;
*minimum_size = 100;
*natural_size = h_pixels;
break;
}
default:
break;
}
}
static void coot_sequence_view_class_init(CootSequenceViewClass* klass) {
// I think that this is a GObject class constructor that sets up the GObject class at runtime.
sequence_view_residue_clicked_signal = g_signal_new("residue-clicked",
G_TYPE_FROM_CLASS (klass),
(GSignalFlags) (G_SIGNAL_RUN_LAST | G_SIGNAL_NO_RECURSE | G_SIGNAL_NO_HOOKS),
0 /* class offset.Subclass cannot override the class handler (default handler). */,
NULL /* accumulator */,
NULL /* accumulator data */,
NULL /* C marshaller. g_cclosure_marshal_generic() will be used */,
G_TYPE_NONE /* return_type */,
2 /* n_params */,
G_TYPE_INT,
G_TYPE_POINTER
);
GTK_WIDGET_CLASS(klass)->snapshot = coot_sequence_view_snapshot;
GTK_WIDGET_CLASS(klass)->measure = coot_sequence_view_measure;
G_OBJECT_CLASS(klass)->dispose = coot_sequence_view_dispose;
}
CootSequenceView *
coot_sequence_view_new() {
return COOT_COOT_SEQUENCE_VIEW(g_object_new (COOT_SEQUENCE_VIEW_TYPE, NULL));
}
G_END_DECLS
std::pair<bool, coot::residue_spec_t>
find_the_clicked_residue(CootSequenceView *sv, float x, float y) {
coot::residue_spec_t best_spec;
float best_dist_initial = 14.0;
float best_dist = best_dist_initial;
for (unsigned int i=0; i<sv->box_info_store.size(); i++) {
const auto &box = sv->box_info_store[i];
float d_x = box.x_base - x + RESIDUE_BOX_WIDTH/2; // Offset from corner to middle of box applied here.
float d_y = box.y_base - y + RESIDUE_BOX_HEIGHT/2; // ditto.
float dd = d_x * d_x + d_y * d_y;
float d = sqrtf(dd);
if (d < best_dist) {
best_dist = d;
best_spec = box.residue_spec;
}
}
bool status = false;
if (best_dist < best_dist_initial)
status = true;
return std::make_pair(status, best_spec);
}
void coot_sequence_view_set_structure(CootSequenceView* self, int imol, mmdb::Manager *mol) {
if (false) { // debug
int imod = 1;
mmdb::Model *model_p = mol->GetModel(imod);
if (model_p) {
int n_chains = model_p->GetNumberOfChains();
for (int ichain=0; ichain<n_chains; ichain++) {
mmdb::Chain *chain_p = model_p->GetChain(ichain);
std::string chain_id = chain_p->GetChainID();
// std::cout << "------ " << chain_id << " ----" << std::endl;
int n_res = chain_p->GetNumberOfResidues();
for (int ires=0; ires<n_res; ires++) {
mmdb::Residue *residue_p = chain_p->GetResidue(ires);
if (residue_p) {
std::string res_name = residue_p->GetResName();
std::string slc = coot::util::three_letter_to_one_letter_with_specials(res_name);
std::cout << slc;
}
}
// std::cout << "\n";
}
}
}
self->imol = imol;
self->mol = mol;
}
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