# standard libraries imports from __future__ import print_function import os # fullrmc library imports from fullrmc import Engine # dirname DIR_PATH = os.path.dirname( os.path.realpath(__file__) ) engineFilePath = os.path.join(DIR_PATH, "engine.rmc") # load ENGINE = Engine(path=None) result, mes = ENGINE.is_engine(engineFilePath, mes=True) if result: ENGINE = ENGINE.load(engineFilePath) ENGINE.visualize(foldIntoBox=True, representationParams='VDW 0.1 20') else: print(mes)
# standard libraries imports import os # fullrmc library imports from fullrmc import Engine # dirname DIR_PATH = os.path.dirname(os.path.realpath(__file__)) engineFilePath = os.path.join(DIR_PATH, "SiOx.rmc") # load ENGINE = Engine(path=None) result, mes = ENGINE.is_engine(engineFilePath, mes=True) if result: ENGINE = ENGINE.load(engineFilePath) ENGINE.visualize(boxWidth=0, representationParams="VDW 0.7 100") else: print mes