article

Free access

Algorithm 716: TSPACK: tension spline curve-fitting package

Editor: John R. Rice Author:

R. J. RenkaAuthors Info & Claims

ACM Transactions on Mathematical Software (TOMS), Volume 19, Issue 1

Pages 81 - 94

https://doi.org/10.1145/151271.151277

Published: 01 March 1993 Publication History

PDF eReader

Abstract

The primary purpose of TSPACK is to construct a smooth function which interpolates a discrete set of data points. The function may be required to have either one or two continuous derivatives. If the accuracy of the data does not warrant interpolation, a smoothing function (which does not pass through the data points) may be constructed instead. The fitting method is designed to avoid extraneous inflection points (associated with rapidly varying data values) and preserve local shape properties of the data (monotonicity and convexity), or to satisfy the more general constraints of bounds on function values or first derivatives. The package also provides a parametric representation for construction general planar curves and space curves.

Supplementary Material

tspack (716.gz) (716.gz)

tension spline curve-fitting package Gams: e1a, e1c, k1a1a1, k1a1a3

Download
47.06 KB

References

[1]

CLINE, A K. Scalar- and planar-valued curve fitting using splines under tension. Commun. ACM 17, 4 (Apr. 1974), 218-223.

Crossref

Google Scholar

[2]

DE BOOR, C. A Practical Guide to Spltnes. Springer-Verlag, New York, 1978.

Google Scholar

[3]

FRITSCH, F. N., AND BUTLAND, J. A method for constructing local monotone p~ecewise cubic interpolants. SIAM J. Sct. Stat. Comput. 5, 2 (June 1984), 300 304.

Google Scholar

[4]

FRITSCH, F. N., AND CARLSON, R. E. Monotone piecewise cubic interpolation. SIAM J. Numer. Anal 17, 2 (Apr. 1988), 238-246.

Google Scholar

[5]

KAHANER, D., MOLER, C., ANn NASH, S. Numerical Methods and Software. Prentice Hall, Englewood Cliffs, N.J., 1989.

Crossref

Google Scholar

[6]

RE~NSC}t, C.H. Smoothing by spline functions. Numer. Math. lO (1967), 177-183.

Google Scholar

[7]

REINSCH, C.H. Smoothing by spline functions II. Numer. Math. 16 (1971), 451-454.

Google Scholar

[8]

RENKA, R. J. Interpolatory tenmon sphnes with automatic selection of tension factors. SIAM J. Sc~. Stat. Comput. 8, 3 (May 1987), 393-415.

Crossref

Google Scholar

[9]

SCHWEIKERT, D. G. An lnterpolatory curve using a spline in tension. J Math. Phys. 45 (1966), 312-317.

Google Scholar

Cited By

View all

Akintola OFarren-Dai MRen WBhosale SBritton RŚwiderek KMoliner VBennet A(2022)Glycoside Hydrolase Catalysis: Do Substrates and Mechanism-Based Covalent Inhibitors React via Matching Transition States?ACS Catalysis10.1021/acscatal.2c0402712:23(14667-14678)Online publication date: 16-Nov-2022
https://doi.org/10.1021/acscatal.2c04027
Bertolazzi EFrego MBiral F(2020)Point data reconstruction and smoothing using cubic splines and clusterizationMathematics and Computers in Simulation10.1016/j.matcom.2020.04.002Online publication date: Apr-2020
https://doi.org/10.1016/j.matcom.2020.04.002
Laurent CQuerin SSolidoro CCanu D(2020)Modelling marine particle dynamics with LTRANS-Zlev: Implementation and validationEnvironmental Modelling & Software10.1016/j.envsoft.2020.104621(104621)Online publication date: Jan-2020
https://doi.org/10.1016/j.envsoft.2020.104621
Show More Cited By

Index Terms

Algorithm 716: TSPACK: tension spline curve-fitting package
1. Mathematics of computing
  1. Mathematical analysis
    1. Functional analysis
      1. Approximation
    2. Numerical analysis
      1. Interpolation
  2. Mathematical software
2. Theory of computation
  1. Design and analysis of algorithms
    1. Approximation algorithms analysis

Recommendations

Scalar- and planar-valued curve fitting using splines under tension

The spline under tension was introduced by Schweikert in an attempt to imitate cubic splines but avoid the spurious critical points they induce. The defining equations are presented here, together with an efficient method for determining the necessary ...
Algorithm 893: TSPACK: tension spline package for curve design and data fitting

TSPACK is a curve-fitting package based on exponential tension splines with automatic selection of tension factors. It serves both as a method for data fitting with preservation of shape properties or more general constraints, and as a means of computer ...
Remark on Algorithm 716

The curve-fitting package TSPACK has been converted to double precision. Also, portability has been improved by eliminating some potential errors.

Comments

Information & Contributors

Information

Published In

cover image ACM Transactions on Mathematical Software

ACM Transactions on Mathematical Software Volume 19, Issue 1

March 1993

130 pages

ISSN:0098-3500

EISSN:1557-7295

DOI:10.1145/151271

Editor:
John R. Rice
Purdue Univ., West Lafayette, IN

Issue’s Table of Contents

Publisher

Association for Computing Machinery

New York, NY, United States

Publication History

Published: 01 March 1993

Published in TOMS Volume 19, Issue 1

Permissions

Request permissions for this article.

Request Permissions

Check for updates

Badges

Author Tags

Qualifiers

Article

Contributors

Other Metrics

View Article Metrics

Bibliometrics & Citations

Bibliometrics

Article Metrics

52
Total Citations
View Citations
2,146
Total Downloads

Downloads (Last 12 months)143
Downloads (Last 6 weeks)20

Reflects downloads up to 21 Sep 2024

Other Metrics

View Author Metrics

Citations

Cited By

View all

Akintola OFarren-Dai MRen WBhosale SBritton RŚwiderek KMoliner VBennet A(2022)Glycoside Hydrolase Catalysis: Do Substrates and Mechanism-Based Covalent Inhibitors React via Matching Transition States?ACS Catalysis10.1021/acscatal.2c0402712:23(14667-14678)Online publication date: 16-Nov-2022
https://doi.org/10.1021/acscatal.2c04027
Bertolazzi EFrego MBiral F(2020)Point data reconstruction and smoothing using cubic splines and clusterizationMathematics and Computers in Simulation10.1016/j.matcom.2020.04.002Online publication date: Apr-2020
https://doi.org/10.1016/j.matcom.2020.04.002
Laurent CQuerin SSolidoro CCanu D(2020)Modelling marine particle dynamics with LTRANS-Zlev: Implementation and validationEnvironmental Modelling & Software10.1016/j.envsoft.2020.104621(104621)Online publication date: Jan-2020
https://doi.org/10.1016/j.envsoft.2020.104621
Świderek KTuñón IWilliams IMoliner V(2018) Insights on the Origin of Catalysis on Glycine N -Methyltransferase from Computational Modeling Journal of the American Chemical Society10.1021/jacs.7b13655140:12(4327-4334)Online publication date: 20-Feb-2018
https://doi.org/10.1021/jacs.7b13655
Arafet KFerrer SGonzález FMoliner V(2017)Quantum mechanics/molecular mechanics studies of the mechanism of cysteine protease inhibition by peptidyl-2,3-epoxyketonesPhysical Chemistry Chemical Physics10.1039/C7CP01726J19:20(12740-12748)Online publication date: 2017
https://doi.org/10.1039/C7CP01726J
Arafet KFerrer SMoliner V(2017)Computational Study of the Catalytic Mechanism of the Cruzain Cysteine ProteaseACS Catalysis10.1021/acscatal.6b030967:2(1207-1215)Online publication date: 11-Jan-2017
https://doi.org/10.1021/acscatal.6b03096
Bordes ICastillo RMoliner V(2017) Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli The Journal of Physical Chemistry B10.1021/acs.jpcb.7b04862121:38(8878-8892)Online publication date: 14-Sep-2017
https://doi.org/10.1021/acs.jpcb.7b04862
Świderek KArafet KKohen AMoliner V(2017)Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) Methods on the Thymidylate Synthase-Catalyzed Hydride TransferJournal of Chemical Theory and Computation10.1021/acs.jctc.6b0103213:3(1375-1388)Online publication date: 22-Feb-2017
https://doi.org/10.1021/acs.jctc.6b01032
Gillet NRuiz-Pernía Jde la Lande ALévy BLederer FDemachy IMoliner V(2016) QM/MM study of l -lactate oxidation by flavocytochrome b 2 Physical Chemistry Chemical Physics10.1039/C6CP00395H18:23(15609-15618)Online publication date: 2016
https://doi.org/10.1039/C6CP00395H
Krzemińska AMoliner VŚwiderek K(2016)Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 ProteaseJournal of the American Chemical Society10.1021/jacs.6b06856138:50(16283-16298)Online publication date: 9-Dec-2016
https://doi.org/10.1021/jacs.6b06856
Show More Cited By

View Options

View options

PDF

View or Download as a PDF file.

PDF

eReader

View online with eReader.

eReader

Get Access

Login options

Check if you have access through your login credentials or your institution to get full access on this article.

Abstract

Supplementary Material

References

Cited By

Index Terms

Recommendations

Scalar- and planar-valued curve fitting using splines under tension

Algorithm 893: TSPACK: tension spline package for curve design and data fitting

Remark on Algorithm 716

Comments

Information

Published In

Publisher

Publication History

Permissions

Check for updates

Badges

Author Tags

Qualifiers

Contributors

Other Metrics

Bibliometrics

Article Metrics

Other Metrics

Citations

Cited By

View options

PDF

eReader

Get Access

Login options

Full Access

Figures

Other

Share

Share this Publication link

Share on social media

Affiliations