#!/usr/bin/env python # -*- coding: utf-8 -*- #--------------------------------------------------------------------------------# # This file is part of the PALM model system. # # PALM is free software: you can redistribute it and/or modify it under the terms # of the GNU General Public License as published by the Free Software Foundation, # either version 3 of the License, or (at your option) any later version. # # PALM is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR # A PARTICULAR PURPOSE. See the GNU General Public License for more details. # # You should have received a copy of the GNU General Public License along with # PALM. If not, see . # # Copyright 1997-2021 Leibniz Universitaet Hannover #--------------------------------------------------------------------------------# # # Current revisions: # ----------------- # # # Former revisions: # ----------------- # $Id: palm_gf 4843 2021-01-15 15:22:11Z moh.hefny $ # Removed PALM_BIN dependency # # 2825 2018-02-20 21:48:27Z maronga # Modified header # # 2718 2018-01-02 08:49:38Z maronga # Corrected "Former revisions" section # # 2696 2017-12-14 17:12:51Z kanani # Change in file header (GPL part) # # 2309 2017-07-10 15:55:55Z gronemeier # some further bugfixes for palm_gf # # 2308 2017-07-10 12:15:43Z gronemeier # new version of palm_gf (bugfixes, changes and new options) # # 2116 2017-01-16 16:15:24Z maronga # Initial revision # # # # Description: # ------------ # # # Instructions: # ------------- # #------------------------------------------------------------------------------! import sys import os import time import palm_gf_files.palm_gf_exec as execute_script import palm_gf_files.palm_gf_conf as config_wr import sqlite3 import subprocess as sub from PyQt4 import QtCore, QtGui, uic, Qt from PyQt4.QtCore import QCoreApplication from palm_gf_files.palm_gf_tools import MyApp3 # Determine PALM directories # Determine PALM directories try: devnull = open(os.devnull, 'w') palm_dir = os.getcwd() palm_bin = palm_dir + '/trunk/SCRIPTS' job_dir = palm_dir + '/JOBS' user_dir = palm_dir + '/USER_CODE' with open(palm_bin + '/palmrungui', 'r') as fh: # file found out = None except: print ('Error. palm_gf probably called in wrong directory.') raise SystemExit qtCreatorFile = palm_bin + '/palm_gf_files/palm_gf.ui' Ui_MainWindow, QtBaseClass = uic.loadUiType(qtCreatorFile) class MyApp1(QtGui.QMainWindow, Ui_MainWindow): def __init__(self): QtGui.QMainWindow.__init__(self) Ui_MainWindow.__init__(self) #self.setWindowTitle('Gridfinder') frameGm = self.frameGeometry() screen = QtGui.QApplication.desktop().screenNumber(QtGui.QApplication.desktop().cursor().pos()) centerPoint = QtGui.QApplication.desktop().screenGeometry(screen).center() frameGm.moveCenter(centerPoint) self.move(frameGm.topLeft()) #centerPoint = str(centerPoint) #xcenter = centerPoint.split('(')[1].split(',')[0] #ycenter = centerPoint.split('(')[1].split(',')[1].split(')')[0] #print xcenter, ycenter #centerPoint = QtCore.QPoint(int(xcenter) - 418, int(ycenter)) #frameGm.moveCenter(centerPoint) #self.move(frameGm.topLeft()) self.setupUi(self) self.startbutton.clicked.connect(self.input_check) # starts grid_calculation self.psolver_box.currentIndexChanged.connect(self.vis) # triggers visibility of fft_method option self.save_button.clicked.connect(self.save_results) # saves .db file under given name self.fft_method_box.setVisible(False) self.fft_method_label.setVisible(False) self.result_headline.setVisible(False) self.result_label.setVisible(False) #self.line_res_up.setVisible(False) self.line_res_down.setVisible(False) self.view_result_button.setVisible(False) #self.tableWidget.setVisible(False) self.load_text_label.setVisible(False) self.nor_spinbox.setVisible(False) self.filename_line.setVisible(False) self.save_button.setVisible(False) self.testbar.setVisible(False) self.d_box.setVisible(False) self.tpn_box.setVisible(False) self.tolerance_bar.setVisible(False) self.tolerance_value.setVisible(False) self.view_result_button.clicked.connect(self.load_gui) self.threadclass = Threadclass() self.actionSetting.triggered.connect(self.settings) self.question_box.clicked.connect(self.settings) self.warning_label.setVisible(False) def closeEvent(self, QCloseEvent): config_wr.closing_cleanup() QCloseEvent.accept() def input_check(self): if int(self.nx_min_box.value()) <= int(self.nx_max_box.value()) and int(self.ny_min_box.value()) <= int(self.nx_max_box.value()) and int(self.nz_min_box.value()) <= int(self.nz_max_box.value()): self.warning_label.setVisible(False) self.run_program() else: self.warning_label.setStyleSheet('color: red') self.warning_label.setVisible(True) def settings(self): self.w = MyPopup() #self.w.setGeometry(Qt.QRect(100, 100, 400, 200)) frameGm = self.frameGeometry() screen = QtGui.QApplication.desktop().screenNumber(QtGui.QApplication.desktop().cursor().pos()) centerPoint = QtGui.QApplication.desktop().screenGeometry(screen).center() frameGm.moveCenter(centerPoint) self.w.move(frameGm.topLeft()) self.w.show() def vis(self): if str(self.psolver_box.currentIndex()) == str(1): self.fft_method_box.setVisible(True) self.fft_method_label.setVisible(True) if str(self.psolver_box.currentIndex()) != str(1): self.fft_method_box.setVisible(False) self.fft_method_label.setVisible(False) def load_gui(self): self.child_win = MyApp3() self.child_win.show() def run_transfer(self): self.threadclass = Threadclass() self.connect(self.threadclass, QtCore.SIGNAL('finish'), self.behind_run) #self.connect(self.threadclass, QtCore.SIGNAL('progress'), self.up2date) self.connect(self.threadclass, QtCore.SIGNAL('startqmsg'), self.takeoff) self.connect(self.threadclass, QtCore.SIGNAL('check'), self.checkme) self.threadclass.runx() def run_program(self): self.result_label.setText('Starting calculation...') #self.QtCore.QCoreApplication.processEvents() QtGui.QApplication.processEvents() #self.setEnabled(False) # self.Ui_MainWindow.setDisabled(True) #self.qmsg_wait(0) #print("bool state ", self.npex_npey_box.checkState()) # XXX np_min = str(self.np_min_box.value()) np_max = str(self.np_max_box.value()) nx_min = str(self.nx_min_box.value()) nx_max = str(self.nx_max_box.value()) ny_min = str(self.ny_min_box.value()) ny_max = str(self.ny_max_box.value()) nz_min = str(self.nz_min_box.value()) nz_max = str(self.nz_max_box.value()) tpn = str(self.tpn_box.value()) dnpexnpey = str(self.d_box.value()) dnpexnpey_tolerance = str(self.tolerance_value.value()) dnxny = str(self.dnxny_box.value()) myobject = MyPopup() ld_thrs = myobject.load_thres.value() rslt_thrs = myobject.result_thres.value() if str(self.psolver_box.currentIndex()) == str(1): poisfft = True switch = True if str(self.fft_method_box.currentIndex()) == str(2): temperton = True else: temperton = False else: poisfft = False temperton = False switch = False if str(self.psolver_box.currentIndex()) == str(2): mlt_grid = True else: mlt_grid = False if str(self.Oos_checkbox.checkState()) == str(2): spctre = True poisfft = True else: spctre = False if int(self.strict_box.checkState()) != 2: tpn = 0 if int(self.npex_npey_box.checkState()) != 2: dnpexnpey = 0 dnpexnpey_tolerance = 0 #print(poisfft, switch, temperton, mlt_grid, spctre) config_wr.write_config(np_min, np_max, nx_min, nx_max, ny_min, ny_max, nz_min, nz_max, tpn, dnpexnpey,dnpexnpey_tolerance, dnxny, str(poisfft), str(switch), str(temperton), str(mlt_grid), str(spctre), rslt_thrs, ld_thrs) #time.sleep(1) # execute_script.grid_executer() temp deactive self.testbar.setVisible(True) QtCore.QCoreApplication.processEvents() self.run_transfer() def behind_run(self): trigger_bool = False #print("behind_run executed") checkfile = open(".palm_gf_tmp", "r") #self.result_label.setText(str(checkfile.readline())) res_text = str(checkfile.readline()) # XXX self.result_label.setText(res_text) result_nr = res_text.split(' ')[2] if int(checkfile.readline()) == 1: self.view_result_button.setVisible(True) trigger_bool = True self.result_label.setVisible(True) self.result_headline.setVisible(True) self.line_res_down.setVisible(True) #self.line_res_up.setVisible(True) self.load_text_label.setVisible(False) self.nor_spinbox.setVisible(False) checkfile.close() #self.setEnabled(True) self.filename_line.setVisible(True) self.save_button.setVisible(True) parameters = config_wr.read_config() if trigger_bool is True and int(result_nr) < int(parameters[18]): self.result_label.setText(res_text + 'Loading Ui...') self.load_gui() # XXXX self.result_label.setText(res_text) #self.close() #frameGm = self.frameGeometry() #screen = QtGui.QApplication.desktop().screenNumber(QtGui.QApplication.desktop().cursor().pos()) #centerPoint = QtGui.QApplication.desktop().screenGeometry(screen).center() #frameGm = self.frameGeometry() #screen = QtGui.QApplication.desktop().screenNumber(QtGui.QApplication.desktop().cursor().pos()) #centerPoint = str(centerPoint) #xcenter = centerPoint.split('(')[1].split(',')[0] #ycenter = centerPoint.split('(')[1].split(',')[1].split(')')[0] ##print xcenter, ycenter #centerPoint = QtCore.QPoint(int(xcenter) - 292, int(ycenter)) #frameGm.moveCenter(centerPoint) #self.move(frameGm.topLeft()) def get_path(wildcard): import wx app = wx.App(None) style = wx.FD_OPEN | wx.FD_FILE_MUST_EXIST dialog = wx.FileDialog(None, 'Open', wildcard='*.db') if dialog.ShowModal() == wx.ID_OK: path = dialog.GetPath() print(path, file) else: path = None dialog.Destroy() return def save_results(self): #self.get_path() import os import shutil prvs = '.palm_gf_data.db' new = str(self.filename_line.text()) print(new) shutil.copy(prvs, new) print(prvs, new) def qmsg(self): msgbox = QtGui.QMessageBox() msgbox.setWindowTitle("Information") # msgbox.setVisible(False) msgbox.Information msgbox.setText("Calculating, please be patient.") # msgbox. msgbox.setModal(True) msgbox.exec_() def tester(self): #print("tester was executed from run method") pass def qmsg_wait(self, progress): global msgbox msgbox = QtGui.QMessageBox() layout = msgbox.layout() layout.itemAtPosition(layout.rowCount() - 1, 0).widget().hide() global progressx progressx = QtGui.QProgressBar() layout.addWidget(progressx, layout.rowCount(), 0, 1, layout.columnCount()) msgbox.setWindowTitle("Progress") msgbox.Information msgbox.setText("Calculating, please be patient.") progressx.setValue(int(progress)) #msgbox.setModal(False) msgbox.exec_() def up2date(self, progress): progressx.setValue(int(progress)) if progress == 100: msgbox.done(1) def takeoff(self): #self.qmsg_wait(0) pass def checkme(self, check): #print(check) self.testbar.setValue(int(check)) if check == 100: self.testbar.setVisible(False) QtGui.QApplication.processEvents() class Threadclass(QtCore.QThread): def __init__(self, parent = None): super(Threadclass, self).__init__(parent) def runx(self): #print("runx exec.") self.execute() def execute(self): self.emit(QtCore.SIGNAL('startqmsg'), 0) parameters = config_wr.read_config() min_procs = int(parameters[0]) max_procs = int(parameters[1]) tpn = int(parameters[2]) dnpexnpey = float(parameters[3]) dnpexnpey_tol = int(parameters[4]) dnxny = float(parameters[5]) nx_min = int(parameters[6]) nx_max = int(parameters[7]) ny_min = int(parameters[8]) ny_max = int(parameters[9]) nz_min = int(parameters[10]) nz_max = int(parameters[11]) poisfft = parameters[12] switch = parameters[13] tempterton = parameters[14] mlt_grid = parameters[15] spectr = parameters[16] result_thrs = parameters[17] path = "/localdata/.palm_gf_data.db" pathx = parameters[19] + '/.palm_gf_data.db' conn = sqlite3.connect(pathx) #conn = sqlite3.connect(".palm_gf_data.db") c = conn.cursor() c.execute("DROP TABLE IF EXISTS grid_current") c.execute("DROP TABLE IF EXISTS grid_limits") c.execute( "CREATE TABLE IF NOT EXISTS grid_current(nx INT, ny INT, nz INT, npex INT, npey INT, npxnpy FLOAT, np INT, ngpts INT, nxnpex FLOAT, nynpey FLOAT)") c.execute( "CREATE TABLE IF NOT EXISTS grid_limits(nx INT, ny INT, nz INT, npex INT, npey INT, npxnpy FLOAT, np INT, ngpts INT, nxnpex FLOAT, nynpey FLOAT)") conn.commit() main_bool = True if poisfft == str(True): poisfft = True else: poisfft = False if switch == str(True): switch = True else: switch = False if tempterton == str(True): tempterton = True else: tempterton = False if mlt_grid == str(True): mlt_grid = True else: mlt_grid = False if spectr == str(True): spectr = True else: spectr = False #print(spectr, type(spectr)) #print(poisfft, switch, tempterton, mlt_grid, spectr) np_used = min_procs counter = 0 nx = nx_min ny = ny_min nz = nz_min from math import floor def factors(n): result = [] for i in range(2, n + 1): # test all integers between 2 and n s = 0 while n / i == floor(n / float(i)): # is n/i an integer? n = n / float(i) s += 1 if s > 0: for k in range(s): result.append(i) # i is a pf s times if n == 1: return result while np_used <= max_procs: a = 1 while a <= np_used: prcs_var = np_used % a if prcs_var != 0: a += 1 elif prcs_var == 0: npex = a npey = int(np_used / npex) if tpn != 0: # XXX if np_used % tpn != 0: a += 1 continue if dnpexnpey != 0 and npex / npey != dnpexnpey: a += 1 continue if dnpexnpey != 0: if float(npex) / float(npey) < (dnpexnpey - dnpexnpey*dnpexnpey_tol/100): a += 1 continue if float(npex) / float(npey) > (dnpexnpey + dnpexnpey*dnpexnpey_tol/100): a += 1 continue while nx <= nx_max: if (nx + 1) % npex != 0: nx += 1 continue if mlt_grid is True and (nx + 1) % 2 != 0: nx += 1 continue if switch is True and (nx + 1) % npey != 0: nx += 1 continue if npex > nx: nx += 1 continue while ny <= ny_max: if dnxny != 0 and float(nx) / float(ny) != float(dnxny): ny += 1 continue if (ny + 1) % npey != 0: ny += 1 continue #if mlt_grid is True and ny % 2 != 0: mlt and mlt_noOpt have same cond. # ny += 1 # continue if (ny + 1) % npex != 0 and switch is True: ny += 1 continue if npey > ny: ny += 1 continue while nz <= nz_max: if mlt_grid is True and nz % 2 != 0: nz += 1 continue if poisfft is True and nz % npex != 0: nz += 1 continue if spectr is True and nz % npey != 0: nz += 1 continue if tempterton is True and nx > 1 and ny > 1: # and nz < 1: nx_list = factors(nx + 1) i = 0 nx_var = nx_list[i] while i < len(nx_list): if nx_var != 2 or nx_var != 3 or nx_var != 5: i += 1 continue i += 1 ny_list = factors(ny + 1) i = 0 ny_var = ny_list[i] while i < len(ny_list): if ny_var != 2 or ny_var != 3 or ny_var != 5: i += 1 continue i += 1 counter += 1 if counter > int(result_thrs): break npxnpy = format(float(npex) / float(npey), '.2f') nxpex = float(nx+1) /float(npex) nypey = float(ny+1) /float(npey) c.execute( """INSERT OR REPLACE INTO grid_current(nx, ny, nz, npex, npey, npxnpy, np, ngpts, nxnpex, nynpey) VALUES (?, ?, ?, ?, ?, ?, ?, ?, ?, ?)""", (nx, ny, nz, npex, npey, npxnpy, (npex * npey), (nx * ny * nz), nxpex, nypey)) nz += 1 nz = nz_min ny += 1 ny = ny_min nx += 1 nx = nx_min a += 1 # a += 1 np_used += 1 progr_act = 100*(float(np_used-1)/float(max_procs)) self.emit(QtCore.SIGNAL('check'), progr_act) #print(np_used, max_procs, progr_act) self.emit(QtCore.SIGNAL('progress'), progr_act) conn.commit() conn.commit() #c.close() #conn.close() # ## ******************************** # #conn = sqlite3.connect(parameters[19] + '/.palm_gf_data.db') #print parameters[19] + '/.palm_gf_data.db' #c = conn.cursor() try: c.execute("SELECT nx FROM grid_current ORDER BY nx DESC LIMIT 1") mx_nx = c.fetchone()[0] # print(mx_nx) c.execute("SELECT nx FROM grid_current ORDER BY nx LIMIT 1") mn_nx = c.fetchone()[0] # print(mn_nx) c.execute("SELECT ny FROM grid_current ORDER BY ny DESC LIMIT 1") mx_ny = c.fetchone()[0] # print(mx_ny) c.execute("SELECT ny FROM grid_current ORDER BY ny LIMIT 1") mn_ny = c.fetchone()[0] # print(mn_ny) c.execute("SELECT nz FROM grid_current ORDER BY nz DESC LIMIT 1") mx_nz = c.fetchone()[0] # print(mx_nz) c.execute("SELECT nz FROM grid_current ORDER BY nz LIMIT 1") mn_nz = c.fetchone()[0] # print(mn_nz) c.execute("SELECT npex FROM grid_current ORDER BY npex DESC LIMIT 1") mx_npex = c.fetchone()[0] # print(mx_npex) c.execute("SELECT npex FROM grid_current ORDER BY npex LIMIT 1") mn_npex = c.fetchone()[0] # print(mn_npex) c.execute("SELECT npey FROM grid_current ORDER BY npey DESC LIMIT 1") mx_npey = c.fetchone()[0] # print(mx_npey) c.execute("SELECT npey FROM grid_current ORDER BY npey LIMIT 1") mn_npey = c.fetchone()[0] # print(mn_npey) c.execute("SELECT npxnpy FROM grid_current ORDER BY npxnpy DESC LIMIT 1") mx_npxnpy = c.fetchone()[0] # print(mx_npxnpy) c.execute("SELECT npxnpy FROM grid_current ORDER BY npxnpy LIMIT 1") mn_npxnpy = c.fetchone()[0] # print(mn_npxnpy) c.execute("SELECT np FROM grid_current ORDER BY np DESC LIMIT 1") mx_np = c.fetchone()[0] # print(mx_np) c.execute("SELECT np FROM grid_current ORDER BY np LIMIT 1") mn_np = c.fetchone()[0] # print(mn_np) c.execute("SELECT ngpts FROM grid_current ORDER BY ngpts DESC LIMIT 1") mx_ngpts = c.fetchone()[0] # print(mx_ngpts) c.execute("SELECT ngpts FROM grid_current ORDER BY ngpts LIMIT 1") mn_ngpts = c.fetchone()[0] # print(mn_ngpts) c.execute("SELECT nxnpex FROM grid_current ORDER BY nxnpex DESC LIMIT 1") mx_nxpex = c.fetchone()[0] c.execute("SELECT nxnpex FROM grid_current ORDER BY nxnpex LIMIT 1") mn_nxpex = c.fetchone()[0] c.execute("SELECT nynpey FROM grid_current ORDER BY nynpey DESC LIMIT 1") mx_nypey = c.fetchone()[0] c.execute("SELECT nynpey FROM grid_current ORDER BY nynpey LIMIT 1") mn_nypey = c.fetchone()[0] conn.commit() c.execute( """INSERT OR REPLACE INTO grid_limits(nx, ny, nz, npex, npey, npxnpy, np, ngpts, nxnpex, nynpey) VALUES (?, ?, ?, ?, ?, ?, ?, ?, ?, ?)""", (mn_nx, mn_ny, mn_nz, mn_npex, mn_npey, mn_npxnpy, mn_np, mn_ngpts, mn_nxpex, mn_nypey)) c.execute( """INSERT OR REPLACE INTO grid_limits(nx, ny, nz, npex, npey, npxnpy, np, ngpts, nxnpex, nynpey) VALUES (?, ?, ?, ?, ?, ?, ?, ?, ?, ?)""", (mx_nx, mx_ny, mx_nz, mx_npex, mx_npey, mx_npxnpy, mx_np, mx_ngpts, mx_nxpex, mx_nypey)) conn.commit() c.close() conn.close() except TypeError: checkfile = open(".palm_gf_tmp", "w") if counter != 0: checkfile.write("Gridfinder found " + str(counter) + " results.\n1") else: checkfile.write("Check input, no Results found.\n0") checkfile.close() checkfile = open(".palm_gf_tmp", "w") if counter != 0: checkfile.write("Gridfinder found " + str(counter) + " results.\n1") else: checkfile.write("Check input, no Results found.\n0") checkfile.close() self.emit(QtCore.SIGNAL('finish'), 1) #print("finished with main execute") qtpopupFile = palm_bin + '/palm_gf_files/palm_gf_settings.ui' Ui_Pop, QtBaseClass = uic.loadUiType(qtpopupFile) class MyPopup(QtGui.QWidget, Ui_Pop): def __init__(self): Qt.QWidget.__init__(self) Ui_Pop.__init__(self) self.setupUi(self) self.show self.savepath.clicked.connect(self.path_to_save) self.begin_check() self.buttonBox.accepted.connect(self.end_check) self.buttonBox.rejected.connect(self.close) def begin_check(self): file_check = palm_dir + '/trunk/SCRIPTS/.palm_gf_config' if os.path.isfile(file_check) is True: parameters = config_wr.read_config_settings() self.linepath.setText(parameters[0]) self.result_thres.setValue(int(parameters[1])) self.load_thres.setValue(int(parameters[2])) def end_check(self): config_wr.write_config_settings(self.linepath.text(), self.result_thres.value(), self.load_thres.value()) self.close() def path_to_save(self, wildcard= None): import wx app = wx.App(None) style = wx.FD_OPEN | wx.FD_FILE_MUST_EXIST dialog = wx.DirDialog(None, 'Open') if dialog.ShowModal() == wx.ID_OK: path = str(dialog.GetPath()) print(path) self.linepath.setText(path) else: path = None dialog.Destroy() return if __name__ == "__main__": import time app = QtGui.QApplication(sys.argv) window = MyApp1() window.setWindowTitle('Gridfinder') window.show() sys.exit(app.exec_())