summaryrefslogtreecommitdiff
path: root/Makefile
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2021-02-18 21:59:37 +0100
committerChristoph Helma <helma@in-silico.ch>2021-02-18 21:59:37 +0100
commit3af0c3d5c5b7f7d506a4582bbe3dca7d22bbefcc (patch)
tree66a0f989c01fdac9085e9d22961fae2de0b568f7 /Makefile
parent9901f99e546619121a5dc9f31e82865198e7b912 (diff)
further cleanup, detailled pa-predictions separated, text modified until results
Diffstat (limited to 'Makefile')
-rw-r--r--Makefile25
1 files changed, 14 insertions, 11 deletions
diff --git a/Makefile b/Makefile
index 5b97564..e1227d3 100644
--- a/Makefile
+++ b/Makefile
@@ -112,20 +112,23 @@ PA_FIGURES = $(addprefix figures/, \
FIGURES = figures/roc.png figures/tsne-mp2d.png figures/tsne-cdk.png $(PA_FIGURES)
-SUMMARY = summary.yaml
+DATA = data.yaml
-all: mutagenicity.pdf
+all: mutagenicity.pdf $(PA_DIR)pa-predictions.pdf
include $(PANDOC_SCHOLAR_PATH)/Makefile
-mutagenicity.mustache.md: $(SUMMARY) mutagenicity.md $(TABLES) $(FIGURES)
+mutagenicity.mustache.md: $(DATA) mutagenicity.md $(TABLES) $(FIGURES)
mustache $^ > $@
+$(PA_DIR)pa-predictions.pdf: $(PA_DIR)pa-predictions.tex
+ pdflatex -output-directory $(PA_DIR) $(PA_DIR)pa-predictions.tex
+
# figures
figures/tsne-cdk.png: figures/tsne-cdk.csv
Rscript scripts/tsne-cdk.R
-figures/tsne-cdk.csv: mutagenicity/cdk/mutagenicity-mod-2.new.csv pyrrolizidine-alkaloids/PA-Padel-2D_m2.csv
+figures/tsne-cdk.csv: mutagenicity/cdk/mutagenicity-mod-2.new.csv pyrrolizidine-alkaloids/cdk/PA-Padel-2D_m2.csv
scripts/cdk-descriptors.rb $^ > $@
figures/tsne-mp2d.png: figures/tsne-mp2d.csv
@@ -140,7 +143,7 @@ figures/roc.png: figures/roc.csv
figures/roc.csv: $(CV_SUMMARY)
scripts/summary2roc.rb $< > $@
-$(PA_FIGURES): tables/pa-table.csv
+$(PA_FIGURES): $(PA_DIR)pa-predictions.csv
scripts/pa-groups.R
# tables
@@ -148,10 +151,10 @@ $(PA_FIGURES): tables/pa-table.csv
tables/pa-summary.csv: $(PA_SUMMARY)
scripts/pa-summary-table.rb $< > $@
-tables/pa-tab.tex: tables/pa-table.csv
- scripts/pa-tex-table.rb $< > $@
+$(PA_DIR)pa-predictions.tex: $(PA_DIR)pa-predictions.csv
+ scripts/pa-predictions-latex.rb $< > $@
-tables/pa-table.csv: $(PA_PREDICTIONS)
+$(PA_DIR)a-predictions.csv: $(PA_PREDICTIONS)
scripts/pa-table.rb > $@
tables/lazar-summary.csv: $(CV_SUMMARY)
@@ -160,12 +163,12 @@ tables/lazar-summary.csv: $(CV_SUMMARY)
tables/tensorflow-summary.csv: $(CV_SUMMARY)
scripts/summary2table.rb tensorflow > $@
-$(SUMMARY): $(PA_SUMMARY) $(CV_SUMMARY)
- scripts/summary.rb $^ > $@
+$(DATA): $(PA_SUMMARY) $(CV_SUMMARY) mutagenicity/mutagenicity.csv mutagenicity/cdk/mutagenicity-mod-2.new.csv $(PA_DIR)pa-predictions.csv
+ scripts/data.rb $^ > $@
# PA summary
-$(PA_SUMMARY): tables/pa-table.csv
+$(PA_SUMMARY): $(PA_DIR)pa-predictions.csv
scripts/pa-summary.rb $< > $@
# PA lazar predictions