
CACHE_DIR?=/tmp
PYTHON?=python

all:
	@echo "This makefile holds example flowws-analysis commands. They require a working plato, vispy, and qt backend (i.e. pyside2) installation. They take a TARGET variable specifying the trained model file to analyze and may take time to download datasets. Try:"
	@echo "make structure_identification TARGET=../data/structure_identification/dump.20210517163249.41.tar"
	@echo "make force_regression TARGET=../data/force_regression/dump.20210516085019.all_molecules.31.tar"
	@echo "make inverse_coarse_graining TARGET=../data/inverse_coarse_graining/dump.20210520160815.51.tar"

.PHONY: structure_identification force_regression inverse_coarse_graining all

structure_identification:
	$(PYTHON) -m flowws.run InitializeTF ParticleAttentionViewer -f "$(TARGET)" --fast-antialiasing 1 --ambient-occlusion 0 --clip-min 0 --clip-max 1 ViewQt

force_regression:
	$(PYTHON) -m flowws.run InitializeTF MoleculeAttentionViewer -f "$(TARGET)" -p "/scratch/scratch_volume1/paper_authors/data/md17" "$(CACHE_DIR)" --additive-rendering 1 --diameter-scale .6 --value-scale 1 --fast-antialiasing 1 --ambient-occlusion 1 ViewQt

inverse_coarse_graining:
	$(PYTHON) -m flowws.run InitializeTF BackmapCoarseGrainViewer -f "$(TARGET)" -p "/scratch/scratch_volume1/paper_authors/data/pdb" "$(CACHE_DIR)" --additive-rendering 1 --fast-antialiasing 1 ViewQt
