From 36fd7d282b694fca950747ddcff0cfebd8e63eda Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Thu, 11 Jan 2024 11:30:27 +0000 Subject: [PATCH] Move EMLECalculator class into calculator.py module. --- MANIFEST.in | 2 +- bin/emle-server | 8 ++++---- emle/{emle.py => calculator.py} | 0 3 files changed, 5 insertions(+), 5 deletions(-) rename emle/{emle.py => calculator.py} (100%) diff --git a/MANIFEST.in b/MANIFEST.in index d618259..2a9f595 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1 +1 @@ -include mlmm/*.mat +include emle/*.mat diff --git a/bin/emle-server b/bin/emle-server index 4d04c73..0353668 100755 --- a/bin/emle-server +++ b/bin/emle-server @@ -518,11 +518,11 @@ except: # Import the EMLE calculator here so that we avoid the import overhead when the # script is called to check if an existing server is running, e.g. when called # as a background process by the orca executable. -from emle.emle import EMLECalculator +from emle.calculator import EMLECalculator # Initialise the EMLE calculator. print("Initialising EMLE calculator...") -mle_calculator = EMLECalculator(**args) +emle_calculator = EMLECalculator(**args) while True: print("Waiting for a connection...") @@ -535,7 +535,7 @@ while True: # Try to run the EMLE calculation. print("Running EMLE calculation...") try: - mle_calculator.run(path=path) + emle_calculator.run(path=path) msg = "7:emlefin" print("Finished!") except Exception as e: @@ -549,7 +549,7 @@ while True: # Try to update the interpolation lambda parameter. print("Updating interpolation lambda...") try: - mle_calculator.set_lambda_interpolate(float(path)) + emle_calculator.set_lambda_interpolate(float(path)) msg = "13:emlelambdaset" print("Lambda set!") except Exception as e: diff --git a/emle/emle.py b/emle/calculator.py similarity index 100% rename from emle/emle.py rename to emle/calculator.py