From 49b8bc8936240302d89132d5e0c7819e2fc2de95 Mon Sep 17 00:00:00 2001
From: Rafael Ravedutti Lucio Machado <rafael.r.ravedutti@fau.de>
Date: Sat, 20 Mar 2021 20:14:43 +0100
Subject: [PATCH] Add code for new syntax
Signed-off-by: Rafael Ravedutti Lucio Machado <rafael.r.ravedutti@fau.de>
---
new_syntax/test.py | 36 ++++++++++++++++++++++++++++++++++++
particle.py | 12 ++++++++++++
2 files changed, 48 insertions(+)
create mode 100644 new_syntax/test.py
diff --git a/new_syntax/test.py b/new_syntax/test.py
new file mode 100644
index 0000000..48e25a3
--- /dev/null
+++ b/new_syntax/test.py
@@ -0,0 +1,36 @@
+import ast
+import inspect
+
+
+def lj(i, j):
+ sr2 = 1.0 / rsq(i, j)
+ sr6 = sr2 * sr2 * sr2 * sigma6
+ force[i] += delta(i, j) * 48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon
+
+
+def euler(i):
+ velocity[i] += dt * force[i] / mass[i]
+ position[i] += dt * velocity[i]
+
+
+class BuildParticleAST(ast.NodeVisitor):
+ def __init__(self, sim):
+ self.sim = sim
+ self.block = Block([])
+ self.temp_values = {}
+
+ def visit_Assign(self, node):
+ print(node.targets[0].id)
+ print(node.value)
+
+ def visit_AugAssign(self, node):
+ print(node.targets[0].id)
+ print(node.value)
+
+
+lj_src = inspect.getsource(lj)
+#print(ast.dump(ast.parse(lj_src, mode='eval'), indent=4))
+tree = ast.parse(lj_src, mode='exec')
+build = BuildParticleAST()
+build.visit(tree)
+#print(ast.dump(ast.parse(lj_src, mode='exec')))
diff --git a/particle.py b/particle.py
index f466126..e3bd789 100644
--- a/particle.py
+++ b/particle.py
@@ -14,6 +14,18 @@ position = psim.add_vector_property('position')
velocity = psim.add_vector_property('velocity')
force = psim.add_vector_property('force', vol=True)
+#def lj(i, j):
+# sr2 = 1.0 / rsq(i, j)
+# sr6 = sr2 * sr2 * sr2 * sigma6
+# force[i] += delta(i, j) * 48.0 * sr6 * (sr6 - 0.5) * sr2 * epsilon
+
+#def euler(i):
+# velocity[i] += dt * force[i] / mass[i]
+# position[i] += dt * velocity[i]
+
+# psim.compute(lj)
+# psim.compute(euler)
+
#grid = psim.grid_3d(0.0, 4.0, 0.0, 4.0, 0.0, 4.0)
#psim.create_particle_lattice(grid, spacing=[0.82323, 0.82323, 0.82323])
psim.from_file("data/minimd_setup_4x4x4.input", ['mass', 'position', 'velocity'])
--
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