New: cwd approach

Mod: improved cli
Fix: missed boundary condition for main flow

anisotropy/config/default.toml

@@ -78,26 +78,27 @@ faceCentered = true
     fuseEdges = true
     checkChartBoundary = false
 
+    [structures.flowapprox]
+    transportProperties.nu = 1e-6
+
+    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
+
+    # multiplication velocity value with flow direction vector
+    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
+    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
+
     [structures.flow]
     scale = [ 1e-5, 1e-5, 1e-5 ]
 
     transportProperties.nu = 1e-6
 
     pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
 
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 0.0 }
+    velocity.boundaryField.inlet = { type = "pressureInletVelocity", value = 0.0 }
     velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 
-    [structures.flowapprox]
-    transportProperties.nu = 1e-6
-
-    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
-
-    # multiplication velocity value with flow direction vector
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
-    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 
 [[structures]]
     [structures.structure]
@@ -166,26 +167,27 @@ faceCentered = true
     fuseEdges = true
     checkChartBoundary = false
 
+    [structures.flowapprox]
+    transportProperties.nu = 1e-6
+
+    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
+
+    # multiplication velocity value with direction vector
+    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
+    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
+
     [structures.flow]
     scale = [ 1e-5, 1e-5, 1e-5 ]
 
     transportProperties.nu = 1e-6
 
     pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
 
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 0.0 }
+    velocity.boundaryField.inlet = { type = "pressureInletVelocity", value = 0.0 }
     velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 
-    [structures.flowapprox]
-    transportProperties.nu = 1e-6
-
-    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
-
-    # multiplication velocity value with direction vector
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
-    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 
 [[structures]]
     [structures.structure]
@@ -254,24 +256,26 @@ faceCentered = true
     fuseEdges = true
     checkChartBoundary = false
 
+    [structures.flowapprox]
+    transportProperties.nu = 1e-6
+
+    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
+
+    # multiplication velocity value with direction vector
+    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
+    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
+
     [structures.flow]
     scale = [ 1e-5, 1e-5, 1e-5 ]
 
     transportProperties.nu = 1e-6
     
     pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
+    pressure.boundaryField.outlet = { type = "fixedValue", value = 0.0 }
 
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 0.0 }
+    velocity.boundaryField.inlet = { type = "pressureInletVelocity", value = 0.0 }
     velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 
-    [structures.flowapprox]
-    transportProperties.nu = 1e-6
 
-    pressure.boundaryField.inlet = { type = "fixedValue", value = 1e-3 }
-    pressure.boundaryField.outlet = { type = "fixedValue", value = 0 }
-
-    # multiplication velocity value with direction vector
-    velocity.boundaryField.inlet = { type = "fixedValue", value = 6e-5 }
-    velocity.boundaryField.outlet = { type = "zeroGradient", value = "None" }
 

anisotropy/core/cli.py

@@ -4,7 +4,8 @@
 
 import click
 import ast
-import os
+import os, shutil
+import logging
 
 class LiteralOption(click.Option):
     def type_cast_value(self, ctx, value):
@@ -63,6 +64,29 @@ def version():
 def anisotropy():
     pass
 
+@anisotropy.command(
+    help = "Initialize project in cwd"
+)
+def init():
+    from anisotropy import env
+    from anisotropy.core.utils import setupLogger
+    from anisotropy.core.main import logger, Database
+
+    setupLogger(logger, logging.INFO)
+    
+    cwd = os.getcwd()
+    wds = [ "build", "logs" ]
+
+    for wd in wds:
+        os.makedirs(os.path.join(cwd, wd), exist_ok = True)
+
+    shutil.copy(env["CONFIG"], os.path.join(cwd, "anisotropy.toml"), follow_symlinks = True)
+    
+    db = Database(env["db_name"], cwd)
+    db.setup()
+
+    logger.info(f"Initialized anisotropy project in { cwd }")
+
 @anisotropy.command(
     help = """Computes cases by chain (mesh -> flow)
     
@@ -81,19 +105,15 @@ def anisotropy():
     default = 1,
     help = "Count of parallel processes"
 )
-@click.option(
-    "-D", "--database", "database",
-    help = "Database path"
-)
 @click.option(
     "-f", "--force", "force",
-    type = click.BOOL,
+    is_flag = True,
     default = False,
     help = "Overwrite existing entries"
 )
 @click.option(
     "-u", "--update", "update",
-    type = click.BOOL,
+    is_flag = True,
     default = False,
     help = "Update db parameters from config"
 )
@@ -104,10 +124,24 @@ def anisotropy():
     cls = KeyValueOption,
     help = "Overwrite existing parameter (except control variables)"
 )
-def compute(stage, nprocs, database, force, update, params):
+@click.option(
+    "-P", "--path", "path",
+    default = os.getcwd(),
+    help = "Specify directory to use (instead of cwd)"
+)
+def compute(stage, nprocs, force, update, params, path):
+    from anisotropy import env
     from anisotropy.core.main import Anisotropy, Database, logger
-    from anisotropy.core.utils import timer, parallel
+    from anisotropy.core.utils import setupLogger, timer, parallel
 
+    env.update(
+        LOG = os.path.join(path, "logs"),
+        BUILD = os.path.join(path, "build"),
+        CONFIG = os.path.join(path, "anisotropy.toml"),
+        db_path = path
+    )
+
+    setupLogger(logger, logging.INFO, env["LOG"])
     args = dict()
 
     for param in params:
@@ -115,30 +149,31 @@ def compute(stage, nprocs, database, force, update, params):
 
     ###
     model = Anisotropy()
+    model.db = Database(env["db_name"], env["db_path"]) 
         
-    if database:
+    logger.info("Configuring database ...")
-        if database[-3: ] == ".db":
-            splitted = database.split("/")
-            db_path = "/".join(splitted[ :-1])
-            db_name = splitted[-1: ][0][ :-3]
-
-        else:
-            raise Exception("Invalid database extension")
-
-        model.db = Database(db_name, db_path)
-        
-    logger.info("Constructing database, tables ...")
     model.db.setup()
 
-    def fill_db():
+    if model.db.isempty() or update:
-        if model.db.isempty() or update:
+        paramsAll = model.loadFromScratch(env["CONFIG"])
-            paramsAll = model.loadFromScratch()
 
-            for entry in paramsAll:
+        if args.get("type"):
-                model.db.update(entry)
+            paramsAll = [ entry for entry in paramsAll if args["type"] == entry["structure"]["type"] ]
+
+        if args.get("direction"):
+            paramsAll = [ entry for entry in paramsAll if args["direction"] == entry["structure"]["direction"] ]
+
+        if args.get("theta"):
+            paramsAll = [ entry for entry in paramsAll if args["theta"] == entry["structure"]["theta"] ]
+
+        for entry in paramsAll:
+            model.db.update(entry)
+
+        logger.info("{} entries was updated.".format(len(paramsAll)))
+
+    else:
+        logger.info("Database was not modified.")
 
-    _, fill_elapsed = timer(fill_db)()
-    logger.info(f"Elapsed time = { fill_elapsed }")
 
     ###
     def computeCase(stage, type, direction, theta):
@@ -152,7 +187,7 @@ def compute(stage, nprocs, database, force, update, params):
 
         if stage == "all" or stage == "mesh":
             if not case.params.get("meshresult", {}).get("status") == "Done" or force:
-                (out, err, returncode), elapsed = timer(case.computeMesh)()
+                (out, err, returncode), elapsed = timer(case.computeMesh)(path)
 
                 if out: logger.info(out)
                 if err: logger.error(err)
@@ -172,7 +207,7 @@ def compute(stage, nprocs, database, force, update, params):
 
         if stage == "all" or stage == "flow":
             if not case.params.get("flowresult", {}).get("status") == "Done" or force:
-                (out, err, returncode), elapsed = timer(case.computeFlow)()
+                (out, err, returncode), elapsed = timer(case.computeFlow)(path)
 
                 if out: logger.info(out)
                 if err: logger.error(err)
@@ -219,7 +254,8 @@ def compute(stage, nprocs, database, force, update, params):
 @click.argument("type")
 @click.argument("direction")
 @click.argument("theta")
-def computemesh(root, type, direction, theta):
+@click.argument("path")
+def computemesh(root, type, direction, theta, path):
     # ISSUE: can't hide command from help, 'hidden = True' doesn't work
     # [Salome Environment]
     
@@ -239,17 +275,27 @@ def computemesh(root, type, direction, theta):
         os.path.join(root, "env/lib/python3.9/site-packages")
     ])
 
-    from anisotropy.core.main import Anisotropy
+    from anisotropy import env
+    from anisotropy.core.main import Anisotropy, Database
     import salome 
 
     ###
     model = Anisotropy()
+    model.db = Database(env["db_name"], path)
     model.load(type, direction, theta)
 
     salome.salome_init()
-    model.genmesh()
+    model.genmesh(path)
     salome.salome_close()
 
+
+@anisotropy.command(
+    help = "Post processing"
+)
+def postprocessing():
+    pass
+
+
 ###
 #   CLI entry
 ##

anisotropy/core/main.py

@@ -25,7 +25,7 @@ import anisotropy.salomepl.mesh
 from anisotropy.samples import Simple, FaceCentered, BodyCentered
 
 logger = logging.getLogger(env["logger_name"])
-setupLogger(logger, logging.INFO, env["LOG"])
+#setupLogger(logger, logging.INFO, env["LOG"])
 
 #peeweeLogger = logging.getLogger("peewee")
 #peeweeLogger.setLevel(logging.INFO)
@@ -83,18 +83,22 @@ class Anisotropy(object):
         return "\n".join([ f"{ k }: { v }" for k, v in versions.items() ])
 
     
-    def loadFromScratch(self) -> list:
+    def loadFromScratch(self, configpath: str = None) -> list:
         """Loads parameters from configuration file and expands special values
 
         :return: List of dicts with parameters
         :rtype: list
         """
+        config = configpath or self.env["CONFIG"]
 
-        if not os.path.exists(self.env["CONFIG"]):
+        if not os.path.exists(config):
-            logger.error("Missed default configuration file")
+            logger.error("Missed configuration file")
             return
 
-        buf = toml.load(self.env["CONFIG"]).get("structures")
+        else:
+            logger.info(f"Configuration file: { config }")
+
+        buf = toml.load(config).get("structures")
         paramsAll = []
 
         # TODO: custom config and merge
@@ -204,7 +208,7 @@ class Anisotropy(object):
             fillets = fillets 
         )
 
-    def getCasePath(self) -> str:
+    def getCasePath(self, path: str = None) -> str:
         """Constructs case path from control parameters
         
         :return: Absolute path to case
@@ -216,15 +220,21 @@ class Anisotropy(object):
             logger.error("Trying to use empty parameters")
             return
 
+        if path:
+            path = os.path.join(path, "build")
+    
+        else:
+            path = self.env["BUILD"]
+
         return os.path.join(
-            self.env["BUILD"], 
+            path, 
             structure["type"],
             "direction-{}".format(str(structure['direction']).replace(" ", "")),
             f"theta-{ structure['theta'] }"
         )
 
 
-    def computeMesh(self):
+    def computeMesh(self, path):
         """Computes a mesh on shape via Salome
 
         :return: Process output, error messages and returncode
@@ -237,6 +247,7 @@ class Anisotropy(object):
             p["type"], 
             p["direction"], 
             p["theta"],
+            path
         ]
         manager = salomepl.utils.SalomeManager()
 
@@ -249,12 +260,13 @@ class Anisotropy(object):
         )
 
 
-    def genmesh(self):
+    def genmesh(self, path):
         """Computes a mesh on shape
 
         Warning: Working only inside Salome Environment
         """
 
+        setupLogger(logger, logging.INFO, self.env["LOG"])
         p = self.params
 
         ###
@@ -327,10 +339,13 @@ class Anisotropy(object):
             mesh.removePyramids()
             mesh.assignGroups()
 
-            casePath = self.getCasePath()
+            casePath = self.getCasePath(path)
             os.makedirs(casePath, exist_ok = True)
             logger.info("Exporting mesh ...")
-            mesh.exportUNV(os.path.join(casePath, "mesh.unv"))
+            returncode, err = mesh.exportUNV(os.path.join(casePath, "mesh.unv"))
+    
+            if returncode:
+                logger.error(err)
 
             meshStats = mesh.stats()
             p["meshresult"].update(
@@ -352,7 +367,7 @@ class Anisotropy(object):
             self.update()
 
 
-    def computeFlow(self):
+    def computeFlow(self, path):
         """Computes a flow on mesh via OpenFOAM
 
         :return: Process output, error messages and returncode
@@ -387,13 +402,13 @@ class Anisotropy(object):
         ##
         if not os.path.exists("mesh.unv"):
             logger.error(f"missed 'mesh.unv'")
-            os.chdir(self.env["ROOT"])
+            os.chdir(path or self.env["ROOT"])
             return "", "", 1
 
         out, err, returncode = openfoam.ideasUnvToFoam("mesh.unv")
 
         if returncode:
-            os.chdir(self.env["ROOT"])
+            os.chdir(path or self.env["ROOT"])
             return out, err, returncode
         
         openfoam.createPatch(dictfile = "system/createPatchDict")