cs_prop_wrap.R

cs_prop_tab <- function(csid){

    require(dplyr)
    require(webchem)
    require(rcdk)

    cs_prop <- cs_prop(csid, verbose=TRUE)

    if(is.na(cs_prop)){
        return(bind_cols(cs_acd_tab = tibble(),
                         cs_epi_pred_tab = tibble(),
                         cs_epi_exp_tab = tibble()
                         )
               )
    }


    cs_acd_tab <- cs_prop[[1]]$acd %>%
                  as.tbl %>%
                  mutate(variable = paste0("acd_",variable)) %>%
                  select(variable, value) %>%
                  spread(variable, value)

    if(nrow(cs_prop[[1]]$epi)==0){
    cs_epi_pred_tab <- tibble()
    cs_epi_exp_tab <- tibble()
    }else{
    cs_epi_pred_tab <- cs_prop[[1]]$epi %>%
                          as.tbl %>%
                          mutate(prop = paste0("epi_pred_",prop)) %>%
                          select(prop, value_pred) %>%
                          spread(prop, value_pred)

    cs_epi_exp_tab <- cs_prop[[1]]$epi %>%
                          as.tbl %>%
                          mutate(prop = paste0("epi_exp_",prop)) %>%
                          select(prop, value_exp) %>%
                          spread(prop, value_exp)
    }

    return(bind_cols(cs_acd_tab, cs_epi_pred_tab, cs_epi_exp_tab))

}