#!/usr/bin/env Rscript             
setwd("~/git/LSHTM_analysis/scripts/functions/")
getwd()
#############################################################
#===========================================
# load functions, data, dirs, hardocded vars
# that will be used in testing the functions
#drug = "streptomycin"
#gene = "gid"
#source("plotting_data.R")
#infile = paste0("~/git/Data/", drug, "/output/", gene, "_comb_stab_struc_params.csv")
#infile_df = read.csv(infile)


#===========================================
lig_dist = 5
pd_df = plotting_data(infile_df
                      , lig_dist_colname = 'ligand_distance'
                      , lig_dist_cutoff  = lig_dist)

my_df       = pd_df[[1]]
my_df_u     = pd_df[[2]]
my_df_u_lig = pd_df[[3]]
dup_muts    = pd_df[[4]]

#=====================
# functions to test 
#=====================
source("stability_count_bp.R")
source("position_count_bp.R")

##################################################################
# ------------------------------
# barplot for mscm stability
# ------------------------------
basic_bp_duet =  paste0(tolower(gene), "_basic_barplot_PS.svg")
plot_basic_bp_duet  =  paste0(plotdir,"/", basic_bp_duet)

svg(plot_basic_bp_duet)
print(paste0("plot filename:", basic_bp_duet))

# function only
stability_count_bp(plotdf = my_df_u
               , df_colname = "ligand_outcome"
               , leg_title = "Lig outcome"
               , label_categories = c("Destabilising", "Stabilising")
               , leg_position = "top")

dev.off()

# ------------------------------
# barplot for ligand affinity
# ------------------------------
basic_bp_ligand =  paste0(tolower(gene), "_basic_barplot_LIG.svg")
plot_basic_bp_ligand  =  paste0(plotdir, "/", basic_bp_ligand)

svg(plot_basic_bp_ligand)
print(paste0("plot filename:", basic_bp_ligand))

# function only
lig_dist = 10
stability_count_bp(plotdf = my_df_u_lig
               , df_colname = "ligand_outcome"
               , leg_title = "Ligand outcome"
               , yaxis_title = paste0("Number of SAVs\nLigand dist: <", lig_dist, "\u212b")
               #, bp_plot_title = "Sites < 10 Ang of ligand"
               )

dev.off()
# ------------------------------
# barplot for foldX
# ------------------------------
basic_bp_foldx = paste0(tolower(gene), "_basic_barplot_foldx.svg")
plot_basic_bp_foldx  =  paste0(plotdir,"/", basic_bp_foldx)

svg(plot_basic_bp_foldx)
print(paste0("plot filename:", plot_basic_bp_foldx))

stability_count_bp(plotdf = my_df_u
                   , df_colname = "foldx_outcome"
                   , leg_title = "FoldX outcome")
dev.off()
#===============================================================
# ------------------------------
# barplot for nssnp site count: all
# ------------------------------
pos_count_duet =  paste0(tolower(gene), "_position_count_PS.svg")
plot_pos_count_duet = paste0(plotdir, "/", pos_count_duet)

svg(plot_pos_count_duet)
print(paste0("plot filename:", plot_pos_count_duet))

# function only
site_snp_count_bp(plotdf = my_df_u
                  , df_colname = "position")

dev.off()
# ------------------------------
# barplot for nssnp site count: within 10 Ang
# ------------------------------
pos_count_ligand =  paste0(tolower(gene), "_position_count_LIG.svg")
plot_pos_count_ligand = paste0(plotdir, "/", pos_count_ligand)

svg(plot_pos_count_ligand)
print(paste0("plot filename:", plot_pos_count_ligand))

# function only
site_snp_count_bp(plotdf = my_df_u_lig
                  , df_colname = "position")

dev.off()
#===============================================================