From 4ef429370e8f3126e266e8c87041df5e477f7ea6 Mon Sep 17 00:00:00 2001 From: Gareth Aneurin Tribello Date: Wed, 8 May 2024 15:35:19 +0100 Subject: [PATCH] Made tests more robust to different plumed versions --- tdata/tests.json | 14 -------------- 1 file changed, 14 deletions(-) diff --git a/tdata/tests.json b/tdata/tests.json index 4456df9..7c02a0f 100644 --- a/tdata/tests.json +++ b/tdata/tests.json @@ -51,20 +51,6 @@ "tooltips": ["DISTANCE", "ATOMS", "RESTRAINT", "ARG", "KAPPA", "AT", "LABEL", "RESTRAINT", "ARG", "KAPPA", "AT", "LABEL", "SLOPE"], "badges": ["pass"] }, - { - "input": "phi: TORSION ATOMS=1,2,3,4 \nrp: RESTRAINT ARG=phi AT=1 KAPPA=50.0 \n hh: WHAM_HISTOGRAM ARG=phi BIAS=rp.bias TEMP=300 GRID_MIN=-pi GRID_MAX=pi GRID_BIN=50", - "index": 7, - "actions": ["WHAM_HISTOGRAM", "TORSION", "COLLECT_FRAMES", "HISTOGRAM", "RESTRAINT", "REWEIGHT_WHAM"], - "tooltips": ["TORSION", "ATOMS", "RESTRAINT", "ARG", "AT", "KAPPA", "RESTRAINT", "ARG", "AT", "KAPPA", "SLOPE", "WHAM_HISTOGRAM", "ARG", "BIAS", "TEMP", "GRID_MIN", "GRID_MAX", "GRID_BIN", "WHAM_HISTOGRAM", "ARG", "BIAS", "TEMP", "GRID_MIN", "GRID_MAX", "GRID_BIN", "STRIDE", "REWEIGHT_WHAM", "ARG", "TEMP", "COLLECT_FRAMES", "LOGWEIGHTS", "STRIDE", "ARG", "HISTOGRAM", "ARG", "GRID_MIN", "GRID_MAX", "GRID_BIN", "KERNEL"], - "badges": ["pass"] - }, - { - "input": "phi: TORSION ATOMS=1,2,3,4 \nrp: RESTRAINT ARG=phi AT=1 KAPPA=50.0 \n hh: WHAM_HISTOGRAM ... \n ARG=phi BIAS=rp.bias TEMP=300 GRID_MIN=-pi GRID_MAX=pi GRID_BIN=50 \n ...", - "index": 8, - "actions": ["WHAM_HISTOGRAM", "TORSION", "COLLECT_FRAMES", "HISTOGRAM", "RESTRAINT", "REWEIGHT_WHAM"], - "tooltips": ["TORSION", "ATOMS", "RESTRAINT", "ARG", "AT", "KAPPA", "RESTRAINT", "ARG", "AT", "KAPPA", "SLOPE", "WHAM_HISTOGRAM", "ARG", "BIAS", "TEMP", "GRID_MIN", "GRID_MAX", "GRID_BIN", "WHAM_HISTOGRAM", "ARG", "BIAS", "TEMP", "GRID_MIN", "GRID_MAX", "GRID_BIN", "STRIDE", "REWEIGHT_WHAM", "ARG", "TEMP", "COLLECT_FRAMES", "LOGWEIGHTS", "STRIDE", "ARG", "HISTOGRAM", "ARG", "GRID_MIN", "GRID_MAX", "GRID_BIN", "KERNEL"], - "badges": ["pass"] - }, { "input": "phi: TORSION __FILL__ \nd: DISTANCE ATOMS=1,2 __FILL__ \nPRINT ARG=__FILL__ FILE=colvar \n#SOLUTION \nphi: TORSION ATOMS=1,2,3,4 \nd: DISTANCE ATOMS=1,2 COMPONENTS \nPRINT ARG=phi,d.z FILE=colvar", "index": 9,