diff --git a/drug-target/global.R b/drug-target/global.R index 076c508..a0c997c 100644 --- a/drug-target/global.R +++ b/drug-target/global.R @@ -818,8 +818,8 @@ if (interactive()){ ### NGLViewer #### # Structure Viewer WebGL/NGLViewR window output$structure <- renderNGLVieweR({ - #ngl_gene=isolate(input$switch_target) - ngl_gene=input$switch_target + ngl_gene=isolate(input$switch_target) + # ngl_gene=input$switch_target ngl_drug=target_map[[ngl_gene]] ngl_pdb_file=paste0(load_dir, "Data/", ngl_drug, '/output/depth/', ngl_gene, '_complex.pdb') print(ngl_pdb_file) diff --git a/ml/global.R b/ml/global.R index ba92a9d..7a2c5a3 100644 --- a/ml/global.R +++ b/ml/global.R @@ -147,22 +147,22 @@ makeplot = function(x, # the DataFrame to plot y_coord_min = 0 } if (display_infobox) { - metadata=t(plot_data[1,colnames(plot_data)[colnames(plot_data) %in% metadata_cols]]) + metadata=plot_data[1,colnames(plot_data)[colnames(plot_data) %in% metadata_cols]] if (display_combined){ metatext=paste0("Train/Test: ", - metadata[1], "/", metadata[2], - "\nTrain/Test Target Ratio: ", metadata[3], "/", metadata[4], - "\nResampling: ", metadata[5], - "\nFeatures: ", metadata[6], + metadata$n_training_size, "/", metadata$n_test_size, + "\nTrain/Test Target Ratio: ", metadata$n_trainingY_ratio, "/", metadata$n_testY_ratio, + "\nResampling: ", metadata$resampling, + "\nFeatures: ", metadata$n_features, "\nGenes Trained: ", combined_training_genes, "\nTest Gene: ", gene ) } else { metatext=paste0("Train/Test: ", - metadata[1], "/", metadata[2], - "\nTrain/Test Target Ratio: ", metadata[3], "/", metadata[4], - "\nResampling: ", metadata[5], - "\nFeatures: ", metadata[6], + metadata$n_training_size, "/", metadata$n_test_size, + "\nTrain/Test Target Ratio: ", metadata$n_trainingY_ratio, "/", metadata$n_testY_ratio, + "\nResampling: ", metadata$resampling, + "\nFeatures: ", metadata$n_features, "\nTest Gene: ", gene ) } @@ -171,7 +171,7 @@ makeplot = function(x, # the DataFrame to plot grob <- grobTree(textGrob(metatext, x=0.01, - y=0.90, + y=0.80, hjust=0, gp=gpar(col="black") ) @@ -192,12 +192,12 @@ makeplot = function(x, # the DataFrame to plot ) + coord_cartesian(ylim = c(y_coord_min, 1)) + annotation_custom(grob) + - geom_label(aes_string(label=selection), - position=position_dodge(width = -0.75), - #vjust = 1.5, - alpha=0.75, - fill="white" - + geom_text(aes_string(label=selection), + position=position_dodge(width = -0.75), + vjust = -0.5, + alpha=0.75, + fill="white" + ) + scale_color_manual(values = colour_range) + scale_fill_manual(values = colour_range) +